USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -3.5! C(o=-3.8!,f=-6!) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.287 K(o=-3.8,f=-6.9) USER MOD Set 2.1: A 31 THR OG1 : rot -136:sc= 0.138 USER MOD Set 2.2: A 37 GLN : amide:sc= -4.96! C(o=-4.8!,f=-4.7!) USER MOD Single : A 1 LYS N :NH3+ -134:sc= -0.0516 (180deg=-0.374) USER MOD Single : A 1 LYS NZ :NH3+ 168:sc= -0.0539 (180deg=-0.252) USER MOD Single : A 4 SER OG : rot 180:sc=0.000432 USER MOD Single : A 6 SER OG : rot -4:sc= 0.239 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HE2:sc= -0.0447 F(o=-0.92,f=-0.045) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.4) USER MOD Single : A 33 ASN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.65 F(o=-3.4!,f=-1.7) USER MOD Single : A 46 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.24) USER MOD Single : A 48 GLN : amide:sc= -0.0831 X(o=-0.083,f=-0.46) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= -0.0006 (180deg=-0.0542) USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= -1.62! (180deg=-3.7!) USER MOD Single : A 59 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.11) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= 1.13 (180deg=0.53) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 18.861 -0.659 14.448 1.00 14.13 N ATOM 2 CA LYS A 1 20.236 -1.117 14.616 1.00 22.02 C ATOM 3 C LYS A 1 21.020 -0.757 13.381 1.00 64.33 C ATOM 4 O LYS A 1 20.493 -0.857 12.276 1.00 44.04 O ATOM 5 CB LYS A 1 20.268 -2.632 14.854 1.00 55.53 C ATOM 6 CG LYS A 1 19.535 -3.057 16.073 1.00 44.14 C ATOM 7 CD LYS A 1 19.557 -4.546 16.206 1.00 72.04 C ATOM 8 CE LYS A 1 18.930 -4.964 17.498 1.00 21.12 C ATOM 9 NZ LYS A 1 17.516 -4.524 17.614 1.00 14.13 N ATOM 0 H1 LYS A 1 18.548 -0.174 15.313 1.00 14.13 H new ATOM 0 H2 LYS A 1 18.810 -0.000 13.645 1.00 14.13 H new ATOM 0 H3 LYS A 1 18.243 -1.475 14.266 1.00 14.13 H new ATOM 0 HA LYS A 1 20.683 -0.633 15.484 1.00 22.02 H new ATOM 0 HB2 LYS A 1 19.840 -3.137 13.988 1.00 55.53 H new ATOM 0 HB3 LYS A 1 21.305 -2.957 14.932 1.00 55.53 H new ATOM 0 HG2 LYS A 1 19.987 -2.601 16.954 1.00 44.14 H new ATOM 0 HG3 LYS A 1 18.504 -2.706 16.026 1.00 44.14 H new ATOM 0 HD2 LYS A 1 19.022 -5.000 15.372 1.00 72.04 H new ATOM 0 HD3 LYS A 1 20.585 -4.906 16.160 1.00 72.04 H new ATOM 0 HE2 LYS A 1 18.978 -6.049 17.587 1.00 21.12 H new ATOM 0 HE3 LYS A 1 19.505 -4.551 18.327 1.00 21.12 H new ATOM 0 HZ1 LYS A 1 17.068 -5.004 18.421 1.00 14.13 H new ATOM 0 HZ2 LYS A 1 17.484 -3.495 17.761 1.00 14.13 H new ATOM 0 HZ3 LYS A 1 17.005 -4.765 16.741 1.00 14.13 H new ATOM 23 N PRO A 2 22.280 -0.313 13.531 1.00 34.50 N ATOM 24 CA PRO A 2 23.098 0.085 12.396 1.00 32.54 C ATOM 25 C PRO A 2 23.486 -1.095 11.496 1.00 53.01 C ATOM 26 O PRO A 2 24.494 -1.773 11.720 1.00 14.14 O ATOM 27 CB PRO A 2 24.334 0.739 13.025 1.00 41.20 C ATOM 28 CG PRO A 2 24.414 0.149 14.396 1.00 52.21 C ATOM 29 CD PRO A 2 22.998 -0.155 14.815 1.00 45.11 C ATOM 0 HA PRO A 2 22.554 0.760 11.735 1.00 32.54 H new ATOM 0 HB2 PRO A 2 25.233 0.525 12.448 1.00 41.20 H new ATOM 0 HB3 PRO A 2 24.232 1.823 13.065 1.00 41.20 H new ATOM 0 HG2 PRO A 2 25.021 -0.757 14.394 1.00 52.21 H new ATOM 0 HG3 PRO A 2 24.883 0.845 15.091 1.00 52.21 H new ATOM 0 HD2 PRO A 2 22.944 -1.061 15.418 1.00 45.11 H new ATOM 0 HD3 PRO A 2 22.575 0.652 15.414 1.00 45.11 H new ATOM 37 N VAL A 3 22.623 -1.380 10.540 1.00 74.52 N ATOM 38 CA VAL A 3 22.827 -2.420 9.541 1.00 51.23 C ATOM 39 C VAL A 3 22.214 -1.915 8.246 1.00 44.10 C ATOM 40 O VAL A 3 21.003 -1.667 8.191 1.00 23.52 O ATOM 41 CB VAL A 3 22.112 -3.767 9.922 1.00 72.11 C ATOM 42 CG1 VAL A 3 22.384 -4.842 8.880 1.00 33.51 C ATOM 43 CG2 VAL A 3 22.518 -4.265 11.303 1.00 53.30 C ATOM 0 H VAL A 3 21.738 -0.885 10.431 1.00 74.52 H new ATOM 0 HA VAL A 3 23.895 -2.623 9.460 1.00 51.23 H new ATOM 0 HB VAL A 3 21.043 -3.557 9.946 1.00 72.11 H new ATOM 0 HG11 VAL A 3 21.878 -5.764 9.167 1.00 33.51 H new ATOM 0 HG12 VAL A 3 22.012 -4.511 7.910 1.00 33.51 H new ATOM 0 HG13 VAL A 3 23.457 -5.022 8.815 1.00 33.51 H new ATOM 0 HG21 VAL A 3 21.998 -5.198 11.521 1.00 53.30 H new ATOM 0 HG22 VAL A 3 23.594 -4.436 11.326 1.00 53.30 H new ATOM 0 HG23 VAL A 3 22.253 -3.518 12.052 1.00 53.30 H new ATOM 53 N SER A 4 23.013 -1.734 7.231 1.00 34.12 N ATOM 54 CA SER A 4 22.511 -1.212 5.978 1.00 70.02 C ATOM 55 C SER A 4 22.130 -2.319 5.007 1.00 20.44 C ATOM 56 O SER A 4 21.231 -2.175 4.181 1.00 71.41 O ATOM 57 CB SER A 4 23.517 -0.235 5.375 1.00 54.10 C ATOM 58 OG SER A 4 24.810 -0.828 5.284 1.00 74.33 O ATOM 0 H SER A 4 24.012 -1.938 7.241 1.00 34.12 H new ATOM 0 HA SER A 4 21.590 -0.665 6.182 1.00 70.02 H new ATOM 0 HB2 SER A 4 23.183 0.072 4.384 1.00 54.10 H new ATOM 0 HB3 SER A 4 23.568 0.665 5.987 1.00 54.10 H new ATOM 0 HG SER A 4 25.438 -0.185 4.893 1.00 74.33 H new ATOM 64 N LEU A 5 22.785 -3.408 5.126 1.00 1.34 N ATOM 65 CA LEU A 5 22.530 -4.518 4.254 1.00 54.35 C ATOM 66 C LEU A 5 21.509 -5.442 4.880 1.00 31.23 C ATOM 67 O LEU A 5 21.806 -6.158 5.839 1.00 22.32 O ATOM 68 CB LEU A 5 23.825 -5.267 3.930 1.00 33.13 C ATOM 69 CG LEU A 5 23.698 -6.457 2.975 1.00 70.33 C ATOM 70 CD1 LEU A 5 23.145 -6.016 1.624 1.00 2.03 C ATOM 71 CD2 LEU A 5 25.043 -7.140 2.805 1.00 73.41 C ATOM 0 H LEU A 5 23.513 -3.569 5.822 1.00 1.34 H new ATOM 0 HA LEU A 5 22.126 -4.140 3.315 1.00 54.35 H new ATOM 0 HB2 LEU A 5 24.533 -4.558 3.501 1.00 33.13 H new ATOM 0 HB3 LEU A 5 24.258 -5.623 4.865 1.00 33.13 H new ATOM 0 HG LEU A 5 22.997 -7.170 3.408 1.00 70.33 H new ATOM 0 HD11 LEU A 5 23.065 -6.880 0.964 1.00 2.03 H new ATOM 0 HD12 LEU A 5 22.159 -5.572 1.762 1.00 2.03 H new ATOM 0 HD13 LEU A 5 23.815 -5.281 1.179 1.00 2.03 H new ATOM 0 HD21 LEU A 5 24.939 -7.984 2.124 1.00 73.41 H new ATOM 0 HD22 LEU A 5 25.762 -6.430 2.396 1.00 73.41 H new ATOM 0 HD23 LEU A 5 25.395 -7.496 3.773 1.00 73.41 H new ATOM 83 N SER A 6 20.302 -5.392 4.387 1.00 64.03 N ATOM 84 CA SER A 6 19.249 -6.243 4.878 1.00 21.51 C ATOM 85 C SER A 6 18.234 -6.533 3.781 1.00 12.33 C ATOM 86 O SER A 6 17.443 -5.655 3.406 1.00 53.23 O ATOM 87 CB SER A 6 18.547 -5.592 6.086 1.00 72.31 C ATOM 88 OG SER A 6 19.460 -5.363 7.164 1.00 21.32 O ATOM 0 H SER A 6 20.019 -4.763 3.636 1.00 64.03 H new ATOM 0 HA SER A 6 19.696 -7.185 5.196 1.00 21.51 H new ATOM 0 HB2 SER A 6 18.098 -4.647 5.781 1.00 72.31 H new ATOM 0 HB3 SER A 6 17.735 -6.235 6.426 1.00 72.31 H new ATOM 0 HG SER A 6 20.339 -5.728 6.931 1.00 21.32 H new ATOM 94 N TYR A 7 18.284 -7.735 3.230 1.00 33.43 N ATOM 95 CA TYR A 7 17.286 -8.136 2.267 1.00 44.14 C ATOM 96 C TYR A 7 16.039 -8.625 2.956 1.00 15.43 C ATOM 97 O TYR A 7 15.901 -9.814 3.279 1.00 42.13 O ATOM 98 CB TYR A 7 17.784 -9.159 1.241 1.00 13.12 C ATOM 99 CG TYR A 7 18.787 -8.620 0.256 1.00 1.20 C ATOM 100 CD1 TYR A 7 18.406 -7.681 -0.697 1.00 24.21 C ATOM 101 CD2 TYR A 7 20.096 -9.060 0.250 1.00 75.23 C ATOM 102 CE1 TYR A 7 19.307 -7.197 -1.618 1.00 61.15 C ATOM 103 CE2 TYR A 7 21.004 -8.577 -0.667 1.00 64.42 C ATOM 104 CZ TYR A 7 20.605 -7.650 -1.596 1.00 5.32 C ATOM 105 OH TYR A 7 21.512 -7.177 -2.520 1.00 34.21 O ATOM 0 H TYR A 7 18.996 -8.437 3.432 1.00 33.43 H new ATOM 0 HA TYR A 7 17.049 -7.238 1.696 1.00 44.14 H new ATOM 0 HB2 TYR A 7 18.231 -9.999 1.772 1.00 13.12 H new ATOM 0 HB3 TYR A 7 16.928 -9.549 0.691 1.00 13.12 H new ATOM 0 HD1 TYR A 7 17.386 -7.326 -0.714 1.00 24.21 H new ATOM 0 HD2 TYR A 7 20.413 -9.794 0.976 1.00 75.23 H new ATOM 0 HE1 TYR A 7 18.997 -6.468 -2.352 1.00 61.15 H new ATOM 0 HE2 TYR A 7 22.026 -8.927 -0.654 1.00 64.42 H new ATOM 0 HH TYR A 7 22.384 -7.597 -2.367 1.00 34.21 H new ATOM 115 N ARG A 8 15.197 -7.693 3.272 1.00 70.23 N ATOM 116 CA ARG A 8 13.921 -7.940 3.838 1.00 23.31 C ATOM 117 C ARG A 8 13.033 -6.784 3.451 1.00 70.12 C ATOM 118 O ARG A 8 13.366 -5.608 3.700 1.00 52.10 O ATOM 119 CB ARG A 8 13.992 -8.116 5.360 1.00 21.43 C ATOM 120 CG ARG A 8 14.533 -6.924 6.108 1.00 22.21 C ATOM 121 CD ARG A 8 14.554 -7.165 7.594 1.00 74.53 C ATOM 122 NE ARG A 8 14.977 -5.972 8.327 1.00 21.12 N ATOM 123 CZ ARG A 8 15.124 -5.914 9.654 1.00 73.41 C ATOM 124 NH1 ARG A 8 15.015 -7.022 10.381 1.00 35.40 N ATOM 125 NH2 ARG A 8 15.412 -4.759 10.247 1.00 21.54 N ATOM 0 H ARG A 8 15.393 -6.701 3.135 1.00 70.23 H new ATOM 0 HA ARG A 8 13.515 -8.877 3.456 1.00 23.31 H new ATOM 0 HB2 ARG A 8 12.992 -8.339 5.733 1.00 21.43 H new ATOM 0 HB3 ARG A 8 14.616 -8.981 5.583 1.00 21.43 H new ATOM 0 HG2 ARG A 8 15.542 -6.703 5.760 1.00 22.21 H new ATOM 0 HG3 ARG A 8 13.922 -6.048 5.889 1.00 22.21 H new ATOM 0 HD2 ARG A 8 13.561 -7.465 7.929 1.00 74.53 H new ATOM 0 HD3 ARG A 8 15.229 -7.990 7.820 1.00 74.53 H new ATOM 0 HE ARG A 8 15.173 -5.128 7.789 1.00 21.12 H new ATOM 0 HH11 ARG A 8 14.820 -7.914 9.926 1.00 35.40 H new ATOM 0 HH12 ARG A 8 15.127 -6.980 11.394 1.00 35.40 H new ATOM 0 HH21 ARG A 8 15.522 -3.912 9.689 1.00 21.54 H new ATOM 0 HH22 ARG A 8 15.523 -4.720 11.260 1.00 21.54 H new ATOM 139 N CYS A 9 11.953 -7.084 2.837 1.00 44.14 N ATOM 140 CA CYS A 9 11.112 -6.053 2.316 1.00 42.14 C ATOM 141 C CYS A 9 9.794 -6.027 3.043 1.00 43.14 C ATOM 142 O CYS A 9 9.211 -7.086 3.324 1.00 3.03 O ATOM 143 CB CYS A 9 10.872 -6.271 0.821 1.00 42.25 C ATOM 144 SG CYS A 9 12.393 -6.429 -0.177 1.00 41.32 S ATOM 0 H CYS A 9 11.621 -8.035 2.677 1.00 44.14 H new ATOM 0 HA CYS A 9 11.613 -5.096 2.463 1.00 42.14 H new ATOM 0 HB2 CYS A 9 10.272 -7.171 0.690 1.00 42.25 H new ATOM 0 HB3 CYS A 9 10.285 -5.438 0.435 1.00 42.25 H new ATOM 149 N PRO A 10 9.307 -4.819 3.379 1.00 74.33 N ATOM 150 CA PRO A 10 7.996 -4.635 4.002 1.00 3.24 C ATOM 151 C PRO A 10 6.881 -5.265 3.161 1.00 23.52 C ATOM 152 O PRO A 10 5.882 -5.753 3.700 1.00 43.11 O ATOM 153 CB PRO A 10 7.838 -3.109 4.046 1.00 73.44 C ATOM 154 CG PRO A 10 9.231 -2.601 4.074 1.00 73.11 C ATOM 155 CD PRO A 10 10.021 -3.536 3.218 1.00 53.52 C ATOM 0 HA PRO A 10 7.928 -5.108 4.981 1.00 3.24 H new ATOM 0 HB2 PRO A 10 7.296 -2.739 3.175 1.00 73.44 H new ATOM 0 HB3 PRO A 10 7.280 -2.791 4.927 1.00 73.44 H new ATOM 0 HG2 PRO A 10 9.283 -1.582 3.692 1.00 73.11 H new ATOM 0 HG3 PRO A 10 9.619 -2.580 5.092 1.00 73.11 H new ATOM 0 HD2 PRO A 10 10.039 -3.212 2.177 1.00 53.52 H new ATOM 0 HD3 PRO A 10 11.057 -3.607 3.548 1.00 53.52 H new ATOM 163 N CYS A 11 7.063 -5.272 1.848 1.00 64.33 N ATOM 164 CA CYS A 11 6.099 -5.862 0.954 1.00 15.44 C ATOM 165 C CYS A 11 6.775 -6.692 -0.133 1.00 23.45 C ATOM 166 O CYS A 11 7.890 -6.394 -0.566 1.00 34.45 O ATOM 167 CB CYS A 11 5.229 -4.787 0.293 1.00 44.12 C ATOM 168 SG CYS A 11 4.178 -3.834 1.424 1.00 74.41 S ATOM 0 H CYS A 11 7.878 -4.871 1.384 1.00 64.33 H new ATOM 0 HA CYS A 11 5.470 -6.516 1.558 1.00 15.44 H new ATOM 0 HB2 CYS A 11 5.880 -4.095 -0.242 1.00 44.12 H new ATOM 0 HB3 CYS A 11 4.593 -5.266 -0.451 1.00 44.12 H new ATOM 173 N ARG A 12 6.101 -7.737 -0.538 1.00 23.34 N ATOM 174 CA ARG A 12 6.505 -8.567 -1.660 1.00 4.13 C ATOM 175 C ARG A 12 5.338 -8.735 -2.619 1.00 61.20 C ATOM 176 O ARG A 12 5.518 -9.110 -3.782 1.00 64.41 O ATOM 177 CB ARG A 12 6.980 -9.952 -1.212 1.00 31.44 C ATOM 178 CG ARG A 12 8.291 -9.994 -0.446 1.00 2.31 C ATOM 179 CD ARG A 12 8.627 -11.430 -0.101 1.00 4.22 C ATOM 180 NE ARG A 12 9.906 -11.590 0.597 1.00 12.35 N ATOM 181 CZ ARG A 12 10.561 -12.761 0.706 1.00 34.31 C ATOM 182 NH1 ARG A 12 10.055 -13.864 0.154 1.00 64.53 N ATOM 183 NH2 ARG A 12 11.710 -12.823 1.361 1.00 55.15 N ATOM 0 H ARG A 12 5.237 -8.047 -0.093 1.00 23.34 H new ATOM 0 HA ARG A 12 7.338 -8.064 -2.151 1.00 4.13 H new ATOM 0 HB2 ARG A 12 6.204 -10.396 -0.588 1.00 31.44 H new ATOM 0 HB3 ARG A 12 7.078 -10.583 -2.095 1.00 31.44 H new ATOM 0 HG2 ARG A 12 9.089 -9.556 -1.045 1.00 2.31 H new ATOM 0 HG3 ARG A 12 8.212 -9.399 0.464 1.00 2.31 H new ATOM 0 HD2 ARG A 12 7.831 -11.840 0.521 1.00 4.22 H new ATOM 0 HD3 ARG A 12 8.649 -12.018 -1.018 1.00 4.22 H new ATOM 0 HE ARG A 12 10.325 -10.765 1.026 1.00 12.35 H new ATOM 0 HH11 ARG A 12 9.170 -13.821 -0.352 1.00 64.53 H new ATOM 0 HH12 ARG A 12 10.553 -14.750 0.238 1.00 64.53 H new ATOM 0 HH21 ARG A 12 12.101 -11.982 1.785 1.00 55.15 H new ATOM 0 HH22 ARG A 12 12.204 -13.712 1.442 1.00 55.15 H new ATOM 197 N PHE A 13 4.145 -8.467 -2.137 1.00 15.11 N ATOM 198 CA PHE A 13 2.960 -8.625 -2.932 1.00 23.25 C ATOM 199 C PHE A 13 2.206 -7.329 -2.944 1.00 63.33 C ATOM 200 O PHE A 13 1.914 -6.775 -1.895 1.00 50.15 O ATOM 201 CB PHE A 13 2.083 -9.750 -2.363 1.00 50.45 C ATOM 202 CG PHE A 13 2.800 -11.070 -2.251 1.00 11.11 C ATOM 203 CD1 PHE A 13 2.956 -11.885 -3.356 1.00 23.14 C ATOM 204 CD2 PHE A 13 3.323 -11.491 -1.036 1.00 41.50 C ATOM 205 CE1 PHE A 13 3.617 -13.092 -3.257 1.00 12.13 C ATOM 206 CE2 PHE A 13 3.983 -12.696 -0.931 1.00 32.24 C ATOM 207 CZ PHE A 13 4.131 -13.497 -2.045 1.00 5.30 C ATOM 0 H PHE A 13 3.975 -8.135 -1.187 1.00 15.11 H new ATOM 0 HA PHE A 13 3.237 -8.894 -3.951 1.00 23.25 H new ATOM 0 HB2 PHE A 13 1.723 -9.456 -1.377 1.00 50.45 H new ATOM 0 HB3 PHE A 13 1.206 -9.874 -2.999 1.00 50.45 H new ATOM 0 HD1 PHE A 13 2.555 -11.573 -4.309 1.00 23.14 H new ATOM 0 HD2 PHE A 13 3.211 -10.866 -0.162 1.00 41.50 H new ATOM 0 HE1 PHE A 13 3.731 -13.719 -4.129 1.00 12.13 H new ATOM 0 HE2 PHE A 13 4.383 -13.013 0.021 1.00 32.24 H new ATOM 0 HZ PHE A 13 4.650 -14.441 -1.967 1.00 5.30 H new ATOM 217 N PHE A 14 1.916 -6.840 -4.108 1.00 44.54 N ATOM 218 CA PHE A 14 1.231 -5.584 -4.259 1.00 62.33 C ATOM 219 C PHE A 14 -0.023 -5.829 -5.044 1.00 21.51 C ATOM 220 O PHE A 14 -0.067 -6.752 -5.861 1.00 21.33 O ATOM 221 CB PHE A 14 2.098 -4.617 -5.049 1.00 62.03 C ATOM 222 CG PHE A 14 3.492 -4.421 -4.541 1.00 14.35 C ATOM 223 CD1 PHE A 14 3.759 -3.527 -3.535 1.00 33.31 C ATOM 224 CD2 PHE A 14 4.543 -5.135 -5.098 1.00 61.12 C ATOM 225 CE1 PHE A 14 5.042 -3.346 -3.081 1.00 33.12 C ATOM 226 CE2 PHE A 14 5.827 -4.961 -4.651 1.00 53.41 C ATOM 227 CZ PHE A 14 6.083 -4.066 -3.641 1.00 54.31 C ATOM 0 H PHE A 14 2.147 -7.299 -4.989 1.00 44.54 H new ATOM 0 HA PHE A 14 1.011 -5.165 -3.277 1.00 62.33 H new ATOM 0 HB2 PHE A 14 2.154 -4.969 -6.079 1.00 62.03 H new ATOM 0 HB3 PHE A 14 1.600 -3.647 -5.070 1.00 62.03 H new ATOM 0 HD1 PHE A 14 2.952 -2.960 -3.096 1.00 33.31 H new ATOM 0 HD2 PHE A 14 4.347 -5.837 -5.895 1.00 61.12 H new ATOM 0 HE1 PHE A 14 5.239 -2.641 -2.287 1.00 33.12 H new ATOM 0 HE2 PHE A 14 6.635 -5.526 -5.092 1.00 53.41 H new ATOM 0 HZ PHE A 14 7.093 -3.925 -3.285 1.00 54.31 H new ATOM 237 N GLU A 15 -1.039 -5.053 -4.809 1.00 73.43 N ATOM 238 CA GLU A 15 -2.236 -5.216 -5.573 1.00 54.03 C ATOM 239 C GLU A 15 -2.189 -4.431 -6.854 1.00 24.12 C ATOM 240 O GLU A 15 -1.670 -3.311 -6.902 1.00 64.24 O ATOM 241 CB GLU A 15 -3.487 -4.898 -4.795 1.00 35.52 C ATOM 242 CG GLU A 15 -3.694 -5.782 -3.612 1.00 21.14 C ATOM 243 CD GLU A 15 -5.078 -5.680 -3.059 1.00 23.33 C ATOM 244 OE1 GLU A 15 -5.436 -4.660 -2.488 1.00 20.31 O ATOM 245 OE2 GLU A 15 -5.858 -6.658 -3.229 1.00 21.40 O ATOM 0 H GLU A 15 -1.063 -4.314 -4.107 1.00 73.43 H new ATOM 0 HA GLU A 15 -2.284 -6.276 -5.821 1.00 54.03 H new ATOM 0 HB2 GLU A 15 -3.443 -3.861 -4.461 1.00 35.52 H new ATOM 0 HB3 GLU A 15 -4.349 -4.983 -5.457 1.00 35.52 H new ATOM 0 HG2 GLU A 15 -3.494 -6.815 -3.895 1.00 21.14 H new ATOM 0 HG3 GLU A 15 -2.975 -5.519 -2.836 1.00 21.14 H new ATOM 252 N SER A 16 -2.719 -5.025 -7.884 1.00 30.11 N ATOM 253 CA SER A 16 -2.752 -4.432 -9.193 1.00 41.10 C ATOM 254 C SER A 16 -4.167 -3.938 -9.525 1.00 71.20 C ATOM 255 O SER A 16 -4.454 -3.517 -10.644 1.00 64.03 O ATOM 256 CB SER A 16 -2.248 -5.445 -10.220 1.00 44.13 C ATOM 257 OG SER A 16 -0.918 -5.858 -9.883 1.00 3.21 O ATOM 0 H SER A 16 -3.148 -5.950 -7.839 1.00 30.11 H new ATOM 0 HA SER A 16 -2.095 -3.562 -9.219 1.00 41.10 H new ATOM 0 HB2 SER A 16 -2.911 -6.310 -10.247 1.00 44.13 H new ATOM 0 HB3 SER A 16 -2.260 -5.003 -11.216 1.00 44.13 H new ATOM 0 HG SER A 16 -0.600 -6.509 -10.543 1.00 3.21 H new ATOM 263 N HIS A 17 -5.037 -3.997 -8.545 1.00 43.45 N ATOM 264 CA HIS A 17 -6.371 -3.469 -8.671 1.00 61.11 C ATOM 265 C HIS A 17 -6.842 -3.031 -7.314 1.00 70.03 C ATOM 266 O HIS A 17 -7.253 -3.848 -6.499 1.00 64.42 O ATOM 267 CB HIS A 17 -7.341 -4.492 -9.273 1.00 1.02 C ATOM 268 CG HIS A 17 -8.688 -3.905 -9.552 1.00 42.03 C ATOM 269 ND1 HIS A 17 -9.835 -4.302 -8.921 1.00 70.04 N ATOM 270 CD2 HIS A 17 -9.058 -2.931 -10.416 1.00 64.21 C ATOM 271 CE1 HIS A 17 -10.842 -3.600 -9.378 1.00 25.24 C ATOM 272 NE2 HIS A 17 -10.398 -2.763 -10.289 1.00 15.41 N ATOM 0 H HIS A 17 -4.837 -4.414 -7.636 1.00 43.45 H new ATOM 0 HA HIS A 17 -6.348 -2.621 -9.355 1.00 61.11 H new ATOM 0 HB2 HIS A 17 -6.921 -4.886 -10.198 1.00 1.02 H new ATOM 0 HB3 HIS A 17 -7.449 -5.333 -8.588 1.00 1.02 H new ATOM 0 HD2 HIS A 17 -8.406 -2.387 -11.084 1.00 64.21 H new ATOM 0 HE1 HIS A 17 -11.869 -3.694 -9.058 1.00 25.24 H new ATOM 0 HE2 HIS A 17 -10.966 -2.098 -10.813 1.00 15.41 H new ATOM 281 N VAL A 18 -6.739 -1.758 -7.053 1.00 1.34 N ATOM 282 CA VAL A 18 -7.129 -1.211 -5.766 1.00 12.51 C ATOM 283 C VAL A 18 -8.033 -0.031 -6.016 1.00 51.30 C ATOM 284 O VAL A 18 -7.877 0.640 -7.025 1.00 3.22 O ATOM 285 CB VAL A 18 -5.893 -0.735 -4.931 1.00 41.20 C ATOM 286 CG1 VAL A 18 -6.309 -0.265 -3.533 1.00 51.04 C ATOM 287 CG2 VAL A 18 -4.846 -1.826 -4.823 1.00 15.43 C ATOM 0 H VAL A 18 -6.386 -1.067 -7.715 1.00 1.34 H new ATOM 0 HA VAL A 18 -7.633 -1.991 -5.196 1.00 12.51 H new ATOM 0 HB VAL A 18 -5.456 0.111 -5.462 1.00 41.20 H new ATOM 0 HG11 VAL A 18 -5.427 0.058 -2.980 1.00 51.04 H new ATOM 0 HG12 VAL A 18 -7.007 0.567 -3.622 1.00 51.04 H new ATOM 0 HG13 VAL A 18 -6.789 -1.086 -3.001 1.00 51.04 H new ATOM 0 HG21 VAL A 18 -4.001 -1.463 -4.237 1.00 15.43 H new ATOM 0 HG22 VAL A 18 -5.279 -2.698 -4.334 1.00 15.43 H new ATOM 0 HG23 VAL A 18 -4.504 -2.102 -5.820 1.00 15.43 H new ATOM 297 N ALA A 19 -8.968 0.224 -5.140 1.00 41.21 N ATOM 298 CA ALA A 19 -9.840 1.335 -5.314 1.00 60.11 C ATOM 299 C ALA A 19 -9.433 2.420 -4.357 1.00 20.31 C ATOM 300 O ALA A 19 -9.394 2.197 -3.151 1.00 65.23 O ATOM 301 CB ALA A 19 -11.284 0.924 -5.080 1.00 41.10 C ATOM 0 H ALA A 19 -9.139 -0.329 -4.300 1.00 41.21 H new ATOM 0 HA ALA A 19 -9.765 1.704 -6.337 1.00 60.11 H new ATOM 0 HB1 ALA A 19 -11.935 1.787 -5.218 1.00 41.10 H new ATOM 0 HB2 ALA A 19 -11.560 0.144 -5.790 1.00 41.10 H new ATOM 0 HB3 ALA A 19 -11.394 0.545 -4.064 1.00 41.10 H new ATOM 307 N ARG A 20 -9.126 3.589 -4.886 1.00 4.12 N ATOM 308 CA ARG A 20 -8.723 4.734 -4.072 1.00 53.41 C ATOM 309 C ARG A 20 -9.817 5.108 -3.076 1.00 5.14 C ATOM 310 O ARG A 20 -9.541 5.559 -1.959 1.00 54.40 O ATOM 311 CB ARG A 20 -8.376 5.919 -4.968 1.00 13.23 C ATOM 312 CG ARG A 20 -8.008 7.182 -4.219 1.00 3.10 C ATOM 313 CD ARG A 20 -7.572 8.264 -5.170 1.00 52.14 C ATOM 314 NE ARG A 20 -7.332 9.525 -4.476 1.00 43.03 N ATOM 315 CZ ARG A 20 -7.119 10.705 -5.072 1.00 62.41 C ATOM 316 NH1 ARG A 20 -7.030 10.788 -6.391 1.00 75.15 N ATOM 317 NH2 ARG A 20 -6.980 11.796 -4.333 1.00 41.03 N ATOM 0 H ARG A 20 -9.147 3.778 -5.888 1.00 4.12 H new ATOM 0 HA ARG A 20 -7.836 4.458 -3.502 1.00 53.41 H new ATOM 0 HB2 ARG A 20 -7.544 5.639 -5.614 1.00 13.23 H new ATOM 0 HB3 ARG A 20 -9.226 6.130 -5.616 1.00 13.23 H new ATOM 0 HG2 ARG A 20 -8.863 7.527 -3.637 1.00 3.10 H new ATOM 0 HG3 ARG A 20 -7.206 6.969 -3.512 1.00 3.10 H new ATOM 0 HD2 ARG A 20 -6.663 7.952 -5.684 1.00 52.14 H new ATOM 0 HD3 ARG A 20 -8.337 8.408 -5.933 1.00 52.14 H new ATOM 0 HE ARG A 20 -7.326 9.506 -3.456 1.00 43.03 H new ATOM 0 HH11 ARG A 20 -7.124 9.948 -6.962 1.00 75.15 H new ATOM 0 HH12 ARG A 20 -6.868 11.692 -6.835 1.00 75.15 H new ATOM 0 HH21 ARG A 20 -7.035 11.734 -3.316 1.00 41.03 H new ATOM 0 HH22 ARG A 20 -6.818 12.698 -4.781 1.00 41.03 H new ATOM 331 N ALA A 21 -11.049 4.872 -3.468 1.00 63.34 N ATOM 332 CA ALA A 21 -12.189 5.149 -2.628 1.00 1.50 C ATOM 333 C ALA A 21 -12.267 4.171 -1.462 1.00 4.01 C ATOM 334 O ALA A 21 -13.014 4.395 -0.529 1.00 14.11 O ATOM 335 CB ALA A 21 -13.477 5.111 -3.436 1.00 4.40 C ATOM 0 H ALA A 21 -11.287 4.482 -4.380 1.00 63.34 H new ATOM 0 HA ALA A 21 -12.063 6.152 -2.221 1.00 1.50 H new ATOM 0 HB1 ALA A 21 -14.323 5.323 -2.782 1.00 4.40 H new ATOM 0 HB2 ALA A 21 -13.433 5.860 -4.226 1.00 4.40 H new ATOM 0 HB3 ALA A 21 -13.599 4.123 -3.879 1.00 4.40 H new ATOM 341 N ASN A 22 -11.498 3.084 -1.527 1.00 53.31 N ATOM 342 CA ASN A 22 -11.489 2.094 -0.459 1.00 64.44 C ATOM 343 C ASN A 22 -10.211 2.207 0.358 1.00 43.13 C ATOM 344 O ASN A 22 -10.015 1.494 1.318 1.00 60.42 O ATOM 345 CB ASN A 22 -11.585 0.689 -1.042 1.00 3.32 C ATOM 346 CG ASN A 22 -11.710 -0.382 0.025 1.00 54.35 C ATOM 347 OD1 ASN A 22 -12.323 -0.174 1.079 1.00 32.21 O ATOM 348 ND2 ASN A 22 -11.069 -1.479 -0.194 1.00 63.52 N ATOM 0 H ASN A 22 -10.876 2.870 -2.307 1.00 53.31 H new ATOM 0 HA ASN A 22 -12.348 2.281 0.186 1.00 64.44 H new ATOM 0 HB2 ASN A 22 -12.446 0.635 -1.708 1.00 3.32 H new ATOM 0 HB3 ASN A 22 -10.701 0.491 -1.648 1.00 3.32 H new ATOM 0 HD21 ASN A 22 -11.056 -2.212 0.515 1.00 63.52 H new ATOM 0 HD22 ASN A 22 -10.575 -1.614 -1.076 1.00 63.52 H new ATOM 355 N VAL A 23 -9.345 3.097 -0.010 1.00 21.01 N ATOM 356 CA VAL A 23 -8.131 3.232 0.734 1.00 52.41 C ATOM 357 C VAL A 23 -8.353 4.108 1.960 1.00 74.45 C ATOM 358 O VAL A 23 -8.725 5.273 1.856 1.00 75.13 O ATOM 359 CB VAL A 23 -6.972 3.757 -0.116 1.00 55.20 C ATOM 360 CG1 VAL A 23 -5.733 3.871 0.723 1.00 72.32 C ATOM 361 CG2 VAL A 23 -6.718 2.845 -1.303 1.00 44.45 C ATOM 0 H VAL A 23 -9.450 3.729 -0.803 1.00 21.01 H new ATOM 0 HA VAL A 23 -7.843 2.233 1.062 1.00 52.41 H new ATOM 0 HB VAL A 23 -7.240 4.744 -0.494 1.00 55.20 H new ATOM 0 HG11 VAL A 23 -4.912 4.245 0.111 1.00 72.32 H new ATOM 0 HG12 VAL A 23 -5.914 4.560 1.548 1.00 72.32 H new ATOM 0 HG13 VAL A 23 -5.471 2.890 1.120 1.00 72.32 H new ATOM 0 HG21 VAL A 23 -5.890 3.238 -1.893 1.00 44.45 H new ATOM 0 HG22 VAL A 23 -6.468 1.846 -0.947 1.00 44.45 H new ATOM 0 HG23 VAL A 23 -7.614 2.796 -1.922 1.00 44.45 H new ATOM 371 N LYS A 24 -8.141 3.511 3.110 1.00 14.23 N ATOM 372 CA LYS A 24 -8.318 4.142 4.391 1.00 0.42 C ATOM 373 C LYS A 24 -7.186 5.173 4.557 1.00 74.23 C ATOM 374 O LYS A 24 -7.407 6.300 4.971 1.00 14.24 O ATOM 375 CB LYS A 24 -8.168 3.072 5.497 1.00 44.51 C ATOM 376 CG LYS A 24 -8.997 3.226 6.810 1.00 73.30 C ATOM 377 CD LYS A 24 -8.906 4.586 7.520 1.00 21.22 C ATOM 378 CE LYS A 24 -9.762 5.649 6.832 1.00 24.52 C ATOM 379 NZ LYS A 24 -9.705 6.949 7.519 1.00 54.32 N ATOM 0 H LYS A 24 -7.831 2.542 3.178 1.00 14.23 H new ATOM 0 HA LYS A 24 -9.298 4.615 4.460 1.00 0.42 H new ATOM 0 HB2 LYS A 24 -8.421 2.107 5.059 1.00 44.51 H new ATOM 0 HB3 LYS A 24 -7.115 3.030 5.775 1.00 44.51 H new ATOM 0 HG2 LYS A 24 -10.044 3.031 6.578 1.00 73.30 H new ATOM 0 HG3 LYS A 24 -8.676 2.454 7.509 1.00 73.30 H new ATOM 0 HD2 LYS A 24 -9.227 4.476 8.556 1.00 21.22 H new ATOM 0 HD3 LYS A 24 -7.867 4.915 7.541 1.00 21.22 H new ATOM 0 HE2 LYS A 24 -9.426 5.771 5.802 1.00 24.52 H new ATOM 0 HE3 LYS A 24 -10.796 5.308 6.792 1.00 24.52 H new ATOM 0 HZ1 LYS A 24 -10.302 7.635 7.014 1.00 54.32 H new ATOM 0 HZ2 LYS A 24 -10.050 6.842 8.494 1.00 54.32 H new ATOM 0 HZ3 LYS A 24 -8.723 7.290 7.535 1.00 54.32 H new ATOM 393 N HIS A 25 -5.962 4.750 4.228 1.00 74.45 N ATOM 394 CA HIS A 25 -4.807 5.633 4.315 1.00 74.33 C ATOM 395 C HIS A 25 -3.721 5.198 3.347 1.00 0.24 C ATOM 396 O HIS A 25 -3.544 3.994 3.119 1.00 11.31 O ATOM 397 CB HIS A 25 -4.226 5.757 5.778 1.00 4.14 C ATOM 398 CG HIS A 25 -3.535 4.556 6.425 1.00 75.11 C ATOM 399 ND1 HIS A 25 -3.194 3.333 5.957 1.00 22.03 N flip ATOM 400 CD2 HIS A 25 -3.033 4.605 7.702 1.00 64.32 C flip ATOM 401 CE1 HIS A 25 -2.505 2.688 6.942 1.00 11.34 C flip ATOM 402 NE2 HIS A 25 -2.418 3.479 7.981 1.00 51.12 N flip ATOM 0 H HIS A 25 -5.751 3.807 3.902 1.00 74.45 H new ATOM 0 HA HIS A 25 -5.161 6.625 4.036 1.00 74.33 H new ATOM 0 HB2 HIS A 25 -3.512 6.581 5.776 1.00 4.14 H new ATOM 0 HB3 HIS A 25 -5.048 6.050 6.431 1.00 4.14 H new ATOM 0 HD1 HIS A 25 -3.413 2.960 5.033 1.00 22.03 H new ATOM 0 HD2 HIS A 25 -3.129 5.444 8.376 1.00 64.32 H new ATOM 0 HE1 HIS A 25 -2.099 1.690 6.875 1.00 11.34 H new ATOM 411 N LEU A 26 -3.029 6.155 2.771 1.00 24.52 N ATOM 412 CA LEU A 26 -1.895 5.871 1.904 1.00 10.35 C ATOM 413 C LEU A 26 -0.617 6.073 2.673 1.00 65.02 C ATOM 414 O LEU A 26 -0.484 7.043 3.427 1.00 54.21 O ATOM 415 CB LEU A 26 -1.843 6.784 0.643 1.00 42.12 C ATOM 416 CG LEU A 26 -2.908 6.609 -0.457 1.00 72.32 C ATOM 417 CD1 LEU A 26 -2.886 5.204 -1.026 1.00 3.11 C ATOM 418 CD2 LEU A 26 -4.301 7.022 0.009 1.00 0.42 C ATOM 0 H LEU A 26 -3.230 7.148 2.886 1.00 24.52 H new ATOM 0 HA LEU A 26 -2.011 4.840 1.569 1.00 10.35 H new ATOM 0 HB2 LEU A 26 -1.891 7.818 0.985 1.00 42.12 H new ATOM 0 HB3 LEU A 26 -0.866 6.647 0.179 1.00 42.12 H new ATOM 0 HG LEU A 26 -2.647 7.291 -1.266 1.00 72.32 H new ATOM 0 HD11 LEU A 26 -3.649 5.113 -1.799 1.00 3.11 H new ATOM 0 HD12 LEU A 26 -1.906 5.001 -1.457 1.00 3.11 H new ATOM 0 HD13 LEU A 26 -3.088 4.486 -0.231 1.00 3.11 H new ATOM 0 HD21 LEU A 26 -5.014 6.879 -0.803 1.00 0.42 H new ATOM 0 HD22 LEU A 26 -4.596 6.410 0.862 1.00 0.42 H new ATOM 0 HD23 LEU A 26 -4.290 8.072 0.302 1.00 0.42 H new ATOM 430 N LYS A 27 0.284 5.162 2.521 1.00 21.32 N ATOM 431 CA LYS A 27 1.593 5.278 3.081 1.00 74.01 C ATOM 432 C LYS A 27 2.568 4.708 2.076 1.00 13.03 C ATOM 433 O LYS A 27 2.427 3.582 1.662 1.00 2.23 O ATOM 434 CB LYS A 27 1.688 4.517 4.423 1.00 62.12 C ATOM 435 CG LYS A 27 3.084 4.534 5.034 1.00 13.15 C ATOM 436 CD LYS A 27 3.182 3.673 6.286 1.00 53.55 C ATOM 437 CE LYS A 27 2.231 4.129 7.377 1.00 44.13 C ATOM 438 NZ LYS A 27 2.411 3.338 8.615 1.00 34.34 N ATOM 0 H LYS A 27 0.132 4.301 1.996 1.00 21.32 H new ATOM 0 HA LYS A 27 1.824 6.323 3.288 1.00 74.01 H new ATOM 0 HB2 LYS A 27 0.985 4.956 5.131 1.00 62.12 H new ATOM 0 HB3 LYS A 27 1.381 3.483 4.268 1.00 62.12 H new ATOM 0 HG2 LYS A 27 3.804 4.181 4.296 1.00 13.15 H new ATOM 0 HG3 LYS A 27 3.357 5.560 5.280 1.00 13.15 H new ATOM 0 HD2 LYS A 27 2.965 2.636 6.029 1.00 53.55 H new ATOM 0 HD3 LYS A 27 4.204 3.701 6.664 1.00 53.55 H new ATOM 0 HE2 LYS A 27 2.399 5.185 7.590 1.00 44.13 H new ATOM 0 HE3 LYS A 27 1.203 4.034 7.029 1.00 44.13 H new ATOM 0 HZ1 LYS A 27 1.747 3.674 9.341 1.00 34.34 H new ATOM 0 HZ2 LYS A 27 2.227 2.334 8.415 1.00 34.34 H new ATOM 0 HZ3 LYS A 27 3.386 3.449 8.959 1.00 34.34 H new ATOM 452 N ILE A 28 3.534 5.463 1.675 1.00 3.23 N ATOM 453 CA ILE A 28 4.476 4.956 0.712 1.00 54.23 C ATOM 454 C ILE A 28 5.829 4.823 1.365 1.00 51.53 C ATOM 455 O ILE A 28 6.356 5.787 1.928 1.00 63.52 O ATOM 456 CB ILE A 28 4.537 5.819 -0.584 1.00 71.34 C ATOM 457 CG1 ILE A 28 3.129 5.903 -1.212 1.00 3.02 C ATOM 458 CG2 ILE A 28 5.513 5.216 -1.584 1.00 34.45 C ATOM 459 CD1 ILE A 28 3.051 6.665 -2.525 1.00 53.34 C ATOM 0 H ILE A 28 3.699 6.420 1.988 1.00 3.23 H new ATOM 0 HA ILE A 28 4.137 3.972 0.387 1.00 54.23 H new ATOM 0 HB ILE A 28 4.883 6.820 -0.325 1.00 71.34 H new ATOM 0 HG12 ILE A 28 2.760 4.890 -1.376 1.00 3.02 H new ATOM 0 HG13 ILE A 28 2.457 6.375 -0.496 1.00 3.02 H new ATOM 0 HG21 ILE A 28 5.541 5.833 -2.482 1.00 34.45 H new ATOM 0 HG22 ILE A 28 6.508 5.174 -1.141 1.00 34.45 H new ATOM 0 HG23 ILE A 28 5.190 4.209 -1.846 1.00 34.45 H new ATOM 0 HD11 ILE A 28 2.022 6.667 -2.884 1.00 53.34 H new ATOM 0 HD12 ILE A 28 3.383 7.691 -2.370 1.00 53.34 H new ATOM 0 HD13 ILE A 28 3.692 6.184 -3.264 1.00 53.34 H new ATOM 471 N LEU A 29 6.373 3.640 1.318 1.00 41.14 N ATOM 472 CA LEU A 29 7.590 3.355 1.996 1.00 21.23 C ATOM 473 C LEU A 29 8.717 3.088 1.025 1.00 52.40 C ATOM 474 O LEU A 29 8.692 2.118 0.241 1.00 52.13 O ATOM 475 CB LEU A 29 7.399 2.183 2.968 1.00 74.51 C ATOM 476 CG LEU A 29 8.612 1.803 3.827 1.00 64.12 C ATOM 477 CD1 LEU A 29 9.128 3.015 4.596 1.00 62.25 C ATOM 478 CD2 LEU A 29 8.225 0.707 4.799 1.00 22.01 C ATOM 0 H LEU A 29 5.979 2.850 0.806 1.00 41.14 H new ATOM 0 HA LEU A 29 7.869 4.236 2.574 1.00 21.23 H new ATOM 0 HB2 LEU A 29 6.571 2.424 3.634 1.00 74.51 H new ATOM 0 HB3 LEU A 29 7.101 1.307 2.392 1.00 74.51 H new ATOM 0 HG LEU A 29 9.405 1.446 3.170 1.00 64.12 H new ATOM 0 HD11 LEU A 29 9.988 2.724 5.199 1.00 62.25 H new ATOM 0 HD12 LEU A 29 9.424 3.793 3.893 1.00 62.25 H new ATOM 0 HD13 LEU A 29 8.341 3.395 5.247 1.00 62.25 H new ATOM 0 HD21 LEU A 29 9.088 0.439 5.408 1.00 22.01 H new ATOM 0 HD22 LEU A 29 7.421 1.061 5.445 1.00 22.01 H new ATOM 0 HD23 LEU A 29 7.886 -0.168 4.245 1.00 22.01 H new ATOM 490 N ASN A 30 9.699 3.940 1.086 1.00 12.40 N ATOM 491 CA ASN A 30 10.870 3.833 0.262 1.00 54.34 C ATOM 492 C ASN A 30 11.842 2.936 0.990 1.00 72.53 C ATOM 493 O ASN A 30 12.204 3.208 2.136 1.00 43.03 O ATOM 494 CB ASN A 30 11.515 5.223 0.053 1.00 31.42 C ATOM 495 CG ASN A 30 10.601 6.255 -0.591 1.00 0.03 C ATOM 496 OD1 ASN A 30 10.580 6.406 -1.815 1.00 34.23 O ATOM 497 ND2 ASN A 30 9.844 6.973 0.217 1.00 10.41 N ATOM 0 H ASN A 30 9.710 4.740 1.718 1.00 12.40 H new ATOM 0 HA ASN A 30 10.609 3.430 -0.717 1.00 54.34 H new ATOM 0 HB2 ASN A 30 11.847 5.604 1.019 1.00 31.42 H new ATOM 0 HB3 ASN A 30 12.404 5.107 -0.567 1.00 31.42 H new ATOM 0 HD21 ASN A 30 9.216 7.679 -0.166 1.00 10.41 H new ATOM 0 HD22 ASN A 30 9.887 6.821 1.225 1.00 10.41 H new ATOM 504 N THR A 31 12.225 1.855 0.383 1.00 3.34 N ATOM 505 CA THR A 31 13.121 0.945 1.013 1.00 22.13 C ATOM 506 C THR A 31 14.412 0.833 0.173 1.00 0.40 C ATOM 507 O THR A 31 14.343 0.747 -1.040 1.00 41.41 O ATOM 508 CB THR A 31 12.400 -0.400 1.189 1.00 21.13 C ATOM 509 OG1 THR A 31 11.192 -0.156 1.922 1.00 41.13 O ATOM 510 CG2 THR A 31 13.221 -1.383 1.965 1.00 41.02 C ATOM 0 H THR A 31 11.927 1.583 -0.554 1.00 3.34 H new ATOM 0 HA THR A 31 13.419 1.295 2.001 1.00 22.13 H new ATOM 0 HB THR A 31 12.211 -0.820 0.201 1.00 21.13 H new ATOM 0 HG1 THR A 31 11.082 -0.845 2.610 1.00 41.13 H new ATOM 0 HG21 THR A 31 12.671 -2.319 2.064 1.00 41.02 H new ATOM 0 HG22 THR A 31 14.159 -1.567 1.441 1.00 41.02 H new ATOM 0 HG23 THR A 31 13.432 -0.979 2.955 1.00 41.02 H new ATOM 518 N PRO A 32 15.597 0.895 0.815 1.00 2.34 N ATOM 519 CA PRO A 32 16.894 0.913 0.112 1.00 74.14 C ATOM 520 C PRO A 32 17.262 -0.373 -0.658 1.00 52.51 C ATOM 521 O PRO A 32 17.674 -0.306 -1.817 1.00 13.12 O ATOM 522 CB PRO A 32 17.910 1.196 1.219 1.00 63.00 C ATOM 523 CG PRO A 32 17.241 0.789 2.481 1.00 72.42 C ATOM 524 CD PRO A 32 15.771 0.995 2.280 1.00 73.04 C ATOM 0 HA PRO A 32 16.867 1.660 -0.681 1.00 74.14 H new ATOM 0 HB2 PRO A 32 18.829 0.632 1.062 1.00 63.00 H new ATOM 0 HB3 PRO A 32 18.183 2.251 1.241 1.00 63.00 H new ATOM 0 HG2 PRO A 32 17.457 -0.254 2.713 1.00 72.42 H new ATOM 0 HG3 PRO A 32 17.603 1.384 3.319 1.00 72.42 H new ATOM 0 HD2 PRO A 32 15.186 0.240 2.805 1.00 73.04 H new ATOM 0 HD3 PRO A 32 15.448 1.966 2.656 1.00 73.04 H new ATOM 532 N ASN A 33 17.120 -1.523 -0.030 1.00 0.40 N ATOM 533 CA ASN A 33 17.514 -2.800 -0.678 1.00 60.31 C ATOM 534 C ASN A 33 16.320 -3.439 -1.367 1.00 52.11 C ATOM 535 O ASN A 33 16.417 -4.509 -1.973 1.00 13.22 O ATOM 536 CB ASN A 33 18.124 -3.798 0.342 1.00 31.45 C ATOM 537 CG ASN A 33 19.388 -3.293 1.041 1.00 1.33 C ATOM 538 OD1 ASN A 33 20.510 -3.500 0.564 1.00 51.04 O ATOM 539 ND2 ASN A 33 19.219 -2.651 2.175 1.00 5.43 N ATOM 0 H ASN A 33 16.743 -1.621 0.913 1.00 0.40 H new ATOM 0 HA ASN A 33 18.277 -2.564 -1.420 1.00 60.31 H new ATOM 0 HB2 ASN A 33 17.374 -4.031 1.098 1.00 31.45 H new ATOM 0 HB3 ASN A 33 18.356 -4.730 -0.174 1.00 31.45 H new ATOM 0 HD21 ASN A 33 20.028 -2.306 2.691 1.00 5.43 H new ATOM 0 HD22 ASN A 33 18.279 -2.498 2.539 1.00 5.43 H new ATOM 546 N CYS A 34 15.212 -2.769 -1.284 1.00 50.21 N ATOM 547 CA CYS A 34 13.974 -3.212 -1.809 1.00 3.05 C ATOM 548 C CYS A 34 13.408 -2.172 -2.749 1.00 44.24 C ATOM 549 O CYS A 34 14.027 -1.130 -2.987 1.00 21.54 O ATOM 550 CB CYS A 34 13.012 -3.518 -0.689 1.00 72.22 C ATOM 551 SG CYS A 34 13.546 -4.866 0.409 1.00 71.32 S ATOM 0 H CYS A 34 15.152 -1.859 -0.827 1.00 50.21 H new ATOM 0 HA CYS A 34 14.133 -4.130 -2.375 1.00 3.05 H new ATOM 0 HB2 CYS A 34 12.867 -2.616 -0.094 1.00 72.22 H new ATOM 0 HB3 CYS A 34 12.044 -3.776 -1.118 1.00 72.22 H new ATOM 556 N ALA A 35 12.303 -2.479 -3.334 1.00 4.20 N ATOM 557 CA ALA A 35 11.652 -1.605 -4.256 1.00 50.41 C ATOM 558 C ALA A 35 10.841 -0.553 -3.518 1.00 43.03 C ATOM 559 O ALA A 35 10.763 -0.556 -2.275 1.00 62.00 O ATOM 560 CB ALA A 35 10.740 -2.410 -5.152 1.00 51.41 C ATOM 0 H ALA A 35 11.814 -3.361 -3.184 1.00 4.20 H new ATOM 0 HA ALA A 35 12.410 -1.101 -4.855 1.00 50.41 H new ATOM 0 HB1 ALA A 35 10.242 -1.744 -5.857 1.00 51.41 H new ATOM 0 HB2 ALA A 35 11.327 -3.146 -5.701 1.00 51.41 H new ATOM 0 HB3 ALA A 35 9.992 -2.921 -4.545 1.00 51.41 H new ATOM 566 N LEU A 36 10.253 0.342 -4.269 1.00 12.51 N ATOM 567 CA LEU A 36 9.394 1.335 -3.716 1.00 5.33 C ATOM 568 C LEU A 36 8.051 0.686 -3.452 1.00 54.52 C ATOM 569 O LEU A 36 7.341 0.287 -4.386 1.00 33.21 O ATOM 570 CB LEU A 36 9.313 2.573 -4.666 1.00 75.12 C ATOM 571 CG LEU A 36 8.439 3.778 -4.234 1.00 60.44 C ATOM 572 CD1 LEU A 36 6.951 3.502 -4.402 1.00 1.32 C ATOM 573 CD2 LEU A 36 8.736 4.132 -2.793 1.00 25.13 C ATOM 0 H LEU A 36 10.362 0.396 -5.282 1.00 12.51 H new ATOM 0 HA LEU A 36 9.780 1.718 -2.771 1.00 5.33 H new ATOM 0 HB2 LEU A 36 10.328 2.938 -4.822 1.00 75.12 H new ATOM 0 HB3 LEU A 36 8.946 2.227 -5.632 1.00 75.12 H new ATOM 0 HG LEU A 36 8.690 4.616 -4.885 1.00 60.44 H new ATOM 0 HD11 LEU A 36 6.381 4.376 -4.086 1.00 1.32 H new ATOM 0 HD12 LEU A 36 6.737 3.288 -5.449 1.00 1.32 H new ATOM 0 HD13 LEU A 36 6.669 2.644 -3.791 1.00 1.32 H new ATOM 0 HD21 LEU A 36 8.120 4.979 -2.492 1.00 25.13 H new ATOM 0 HD22 LEU A 36 8.513 3.277 -2.155 1.00 25.13 H new ATOM 0 HD23 LEU A 36 9.789 4.395 -2.693 1.00 25.13 H new ATOM 585 N GLN A 37 7.736 0.542 -2.201 1.00 25.14 N ATOM 586 CA GLN A 37 6.530 -0.131 -1.788 1.00 74.01 C ATOM 587 C GLN A 37 5.476 0.834 -1.308 1.00 21.12 C ATOM 588 O GLN A 37 5.738 1.697 -0.478 1.00 72.22 O ATOM 589 CB GLN A 37 6.874 -1.092 -0.689 1.00 54.42 C ATOM 590 CG GLN A 37 7.768 -2.232 -1.139 1.00 12.54 C ATOM 591 CD GLN A 37 8.829 -2.548 -0.139 1.00 4.51 C ATOM 592 OE1 GLN A 37 9.231 -3.690 0.029 1.00 30.53 O ATOM 593 NE2 GLN A 37 9.344 -1.533 0.468 1.00 71.23 N ATOM 0 H GLN A 37 8.307 0.888 -1.430 1.00 25.14 H new ATOM 0 HA GLN A 37 6.117 -0.656 -2.649 1.00 74.01 H new ATOM 0 HB2 GLN A 37 7.369 -0.549 0.116 1.00 54.42 H new ATOM 0 HB3 GLN A 37 5.953 -1.504 -0.276 1.00 54.42 H new ATOM 0 HG2 GLN A 37 7.160 -3.120 -1.314 1.00 12.54 H new ATOM 0 HG3 GLN A 37 8.234 -1.972 -2.090 1.00 12.54 H new ATOM 0 HE21 GLN A 37 8.977 -0.597 0.298 1.00 71.23 H new ATOM 0 HE22 GLN A 37 10.118 -1.667 1.118 1.00 71.23 H new ATOM 602 N ILE A 38 4.297 0.691 -1.828 1.00 63.15 N ATOM 603 CA ILE A 38 3.182 1.483 -1.398 1.00 51.44 C ATOM 604 C ILE A 38 2.351 0.638 -0.456 1.00 34.41 C ATOM 605 O ILE A 38 2.102 -0.527 -0.731 1.00 54.14 O ATOM 606 CB ILE A 38 2.310 1.912 -2.595 1.00 25.41 C ATOM 607 CG1 ILE A 38 3.140 2.706 -3.602 1.00 54.44 C ATOM 608 CG2 ILE A 38 1.085 2.718 -2.135 1.00 41.54 C ATOM 609 CD1 ILE A 38 2.383 3.076 -4.846 1.00 55.31 C ATOM 0 H ILE A 38 4.078 0.021 -2.565 1.00 63.15 H new ATOM 0 HA ILE A 38 3.547 2.385 -0.906 1.00 51.44 H new ATOM 0 HB ILE A 38 1.943 1.010 -3.085 1.00 25.41 H new ATOM 0 HG12 ILE A 38 3.504 3.616 -3.124 1.00 54.44 H new ATOM 0 HG13 ILE A 38 4.016 2.120 -3.880 1.00 54.44 H new ATOM 0 HG21 ILE A 38 0.491 3.005 -3.003 1.00 41.54 H new ATOM 0 HG22 ILE A 38 0.478 2.108 -1.466 1.00 41.54 H new ATOM 0 HG23 ILE A 38 1.415 3.614 -1.609 1.00 41.54 H new ATOM 0 HD11 ILE A 38 3.035 3.638 -5.515 1.00 55.31 H new ATOM 0 HD12 ILE A 38 2.042 2.170 -5.348 1.00 55.31 H new ATOM 0 HD13 ILE A 38 1.522 3.689 -4.579 1.00 55.31 H new ATOM 621 N VAL A 39 1.966 1.200 0.633 1.00 55.43 N ATOM 622 CA VAL A 39 1.159 0.528 1.606 1.00 1.14 C ATOM 623 C VAL A 39 -0.163 1.262 1.725 1.00 11.34 C ATOM 624 O VAL A 39 -0.205 2.495 1.821 1.00 2.13 O ATOM 625 CB VAL A 39 1.858 0.501 2.995 1.00 60.22 C ATOM 626 CG1 VAL A 39 0.998 -0.194 4.032 1.00 75.34 C ATOM 627 CG2 VAL A 39 3.230 -0.159 2.906 1.00 30.12 C ATOM 0 H VAL A 39 2.204 2.159 0.885 1.00 55.43 H new ATOM 0 HA VAL A 39 1.003 -0.502 1.285 1.00 1.14 H new ATOM 0 HB VAL A 39 1.997 1.535 3.311 1.00 60.22 H new ATOM 0 HG11 VAL A 39 1.515 -0.196 4.991 1.00 75.34 H new ATOM 0 HG12 VAL A 39 0.050 0.334 4.132 1.00 75.34 H new ATOM 0 HG13 VAL A 39 0.810 -1.221 3.719 1.00 75.34 H new ATOM 0 HG21 VAL A 39 3.696 -0.164 3.891 1.00 30.12 H new ATOM 0 HG22 VAL A 39 3.118 -1.184 2.552 1.00 30.12 H new ATOM 0 HG23 VAL A 39 3.858 0.399 2.211 1.00 30.12 H new ATOM 637 N ALA A 40 -1.222 0.534 1.705 1.00 44.32 N ATOM 638 CA ALA A 40 -2.522 1.106 1.810 1.00 72.04 C ATOM 639 C ALA A 40 -3.365 0.256 2.667 1.00 53.22 C ATOM 640 O ALA A 40 -3.192 -0.955 2.720 1.00 70.12 O ATOM 641 CB ALA A 40 -3.158 1.233 0.454 1.00 23.54 C ATOM 0 H ALA A 40 -1.214 -0.482 1.615 1.00 44.32 H new ATOM 0 HA ALA A 40 -2.430 2.100 2.248 1.00 72.04 H new ATOM 0 HB1 ALA A 40 -4.150 1.672 0.557 1.00 23.54 H new ATOM 0 HB2 ALA A 40 -2.542 1.873 -0.178 1.00 23.54 H new ATOM 0 HB3 ALA A 40 -3.243 0.246 -0.002 1.00 23.54 H new ATOM 647 N ARG A 41 -4.253 0.852 3.351 1.00 64.23 N ATOM 648 CA ARG A 41 -5.140 0.093 4.138 1.00 22.04 C ATOM 649 C ARG A 41 -6.477 0.265 3.547 1.00 53.22 C ATOM 650 O ARG A 41 -6.774 1.331 3.072 1.00 11.32 O ATOM 651 CB ARG A 41 -5.132 0.548 5.591 1.00 33.21 C ATOM 652 CG ARG A 41 -5.757 -0.475 6.509 1.00 12.03 C ATOM 653 CD ARG A 41 -5.459 -0.204 7.957 1.00 33.32 C ATOM 654 NE ARG A 41 -6.128 0.983 8.499 1.00 43.52 N ATOM 655 CZ ARG A 41 -5.757 1.593 9.641 1.00 64.34 C ATOM 656 NH1 ARG A 41 -4.672 1.175 10.302 1.00 22.10 N ATOM 657 NH2 ARG A 41 -6.478 2.596 10.133 1.00 33.22 N ATOM 0 H ARG A 41 -4.389 1.862 3.385 1.00 64.23 H new ATOM 0 HA ARG A 41 -4.840 -0.955 4.145 1.00 22.04 H new ATOM 0 HB2 ARG A 41 -4.106 0.738 5.905 1.00 33.21 H new ATOM 0 HB3 ARG A 41 -5.672 1.491 5.678 1.00 33.21 H new ATOM 0 HG2 ARG A 41 -6.837 -0.483 6.358 1.00 12.03 H new ATOM 0 HG3 ARG A 41 -5.391 -1.467 6.245 1.00 12.03 H new ATOM 0 HD2 ARG A 41 -5.754 -1.073 8.545 1.00 33.32 H new ATOM 0 HD3 ARG A 41 -4.382 -0.087 8.078 1.00 33.32 H new ATOM 0 HE ARG A 41 -6.919 1.368 7.982 1.00 43.52 H new ATOM 0 HH11 ARG A 41 -4.125 0.394 9.941 1.00 22.10 H new ATOM 0 HH12 ARG A 41 -4.392 1.638 11.167 1.00 22.10 H new ATOM 0 HH21 ARG A 41 -7.318 2.908 9.645 1.00 33.22 H new ATOM 0 HH22 ARG A 41 -6.191 3.054 10.998 1.00 33.22 H new ATOM 671 N LEU A 42 -7.254 -0.758 3.520 1.00 23.34 N ATOM 672 CA LEU A 42 -8.587 -0.644 3.002 1.00 72.45 C ATOM 673 C LEU A 42 -9.466 -0.052 4.090 1.00 54.22 C ATOM 674 O LEU A 42 -9.098 -0.086 5.257 1.00 22.44 O ATOM 675 CB LEU A 42 -9.091 -2.011 2.555 1.00 52.24 C ATOM 676 CG LEU A 42 -8.200 -2.746 1.549 1.00 2.20 C ATOM 677 CD1 LEU A 42 -8.815 -4.056 1.145 1.00 62.04 C ATOM 678 CD2 LEU A 42 -7.896 -1.886 0.328 1.00 42.22 C ATOM 0 H LEU A 42 -6.998 -1.689 3.849 1.00 23.34 H new ATOM 0 HA LEU A 42 -8.609 0.009 2.129 1.00 72.45 H new ATOM 0 HB2 LEU A 42 -9.210 -2.641 3.437 1.00 52.24 H new ATOM 0 HB3 LEU A 42 -10.081 -1.888 2.115 1.00 52.24 H new ATOM 0 HG LEU A 42 -7.251 -2.952 2.044 1.00 2.20 H new ATOM 0 HD11 LEU A 42 -8.163 -4.559 0.430 1.00 62.04 H new ATOM 0 HD12 LEU A 42 -8.942 -4.685 2.026 1.00 62.04 H new ATOM 0 HD13 LEU A 42 -9.787 -3.875 0.685 1.00 62.04 H new ATOM 0 HD21 LEU A 42 -7.262 -2.444 -0.361 1.00 42.22 H new ATOM 0 HD22 LEU A 42 -8.828 -1.620 -0.171 1.00 42.22 H new ATOM 0 HD23 LEU A 42 -7.381 -0.978 0.642 1.00 42.22 H new ATOM 690 N LYS A 43 -10.581 0.509 3.731 1.00 54.12 N ATOM 691 CA LYS A 43 -11.429 1.132 4.697 1.00 62.11 C ATOM 692 C LYS A 43 -12.566 0.224 5.120 1.00 72.14 C ATOM 693 O LYS A 43 -12.816 0.053 6.313 1.00 73.54 O ATOM 694 CB LYS A 43 -11.914 2.485 4.174 1.00 23.13 C ATOM 695 CG LYS A 43 -12.788 2.452 2.952 1.00 42.55 C ATOM 696 CD LYS A 43 -13.064 3.855 2.432 1.00 54.24 C ATOM 697 CE LYS A 43 -13.737 4.736 3.462 1.00 4.31 C ATOM 698 NZ LYS A 43 -14.001 6.097 2.937 1.00 21.54 N ATOM 0 H LYS A 43 -10.924 0.547 2.771 1.00 54.12 H new ATOM 0 HA LYS A 43 -10.849 1.316 5.601 1.00 62.11 H new ATOM 0 HB2 LYS A 43 -12.462 2.984 4.973 1.00 23.13 H new ATOM 0 HB3 LYS A 43 -11.041 3.100 3.954 1.00 23.13 H new ATOM 0 HG2 LYS A 43 -12.306 1.861 2.173 1.00 42.55 H new ATOM 0 HG3 LYS A 43 -13.730 1.958 3.189 1.00 42.55 H new ATOM 0 HD2 LYS A 43 -12.125 4.315 2.123 1.00 54.24 H new ATOM 0 HD3 LYS A 43 -13.695 3.792 1.545 1.00 54.24 H new ATOM 0 HE2 LYS A 43 -14.676 4.278 3.773 1.00 4.31 H new ATOM 0 HE3 LYS A 43 -13.107 4.805 4.349 1.00 4.31 H new ATOM 0 HZ1 LYS A 43 -14.463 6.669 3.673 1.00 21.54 H new ATOM 0 HZ2 LYS A 43 -13.103 6.544 2.663 1.00 21.54 H new ATOM 0 HZ3 LYS A 43 -14.623 6.034 2.106 1.00 21.54 H new ATOM 712 N ASN A 44 -13.229 -0.386 4.154 1.00 73.41 N ATOM 713 CA ASN A 44 -14.356 -1.276 4.473 1.00 0.10 C ATOM 714 C ASN A 44 -13.848 -2.611 5.003 1.00 74.50 C ATOM 715 O ASN A 44 -14.455 -3.225 5.878 1.00 62.21 O ATOM 716 CB ASN A 44 -15.316 -1.501 3.262 1.00 65.24 C ATOM 717 CG ASN A 44 -14.772 -2.393 2.128 1.00 23.32 C ATOM 718 OD1 ASN A 44 -13.574 -2.465 1.869 1.00 62.10 O ATOM 719 ND2 ASN A 44 -15.665 -3.075 1.445 1.00 22.42 N ATOM 0 H ASN A 44 -13.021 -0.292 3.160 1.00 73.41 H new ATOM 0 HA ASN A 44 -14.939 -0.777 5.247 1.00 0.10 H new ATOM 0 HB2 ASN A 44 -16.241 -1.943 3.633 1.00 65.24 H new ATOM 0 HB3 ASN A 44 -15.573 -0.529 2.842 1.00 65.24 H new ATOM 0 HD21 ASN A 44 -15.368 -3.681 0.680 1.00 22.42 H new ATOM 0 HD22 ASN A 44 -16.655 -2.998 1.680 1.00 22.42 H new ATOM 726 N ASN A 45 -12.740 -3.050 4.465 1.00 63.44 N ATOM 727 CA ASN A 45 -12.138 -4.308 4.860 1.00 31.43 C ATOM 728 C ASN A 45 -11.073 -4.061 5.936 1.00 1.43 C ATOM 729 O ASN A 45 -10.748 -4.942 6.731 1.00 44.53 O ATOM 730 CB ASN A 45 -11.568 -5.004 3.616 1.00 14.50 C ATOM 731 CG ASN A 45 -11.052 -6.405 3.871 1.00 23.13 C ATOM 732 OD1 ASN A 45 -10.140 -6.850 3.050 1.00 65.02 O flip ATOM 733 ND2 ASN A 45 -11.500 -7.092 4.774 1.00 50.24 N flip ATOM 0 H ASN A 45 -12.225 -2.550 3.740 1.00 63.44 H new ATOM 0 HA ASN A 45 -12.885 -4.969 5.298 1.00 31.43 H new ATOM 0 HB2 ASN A 45 -12.343 -5.048 2.851 1.00 14.50 H new ATOM 0 HB3 ASN A 45 -10.757 -4.397 3.214 1.00 14.50 H new ATOM 0 HD21 ASN A 45 -12.212 -6.713 5.398 1.00 50.24 H new ATOM 0 HD22 ASN A 45 -11.162 -8.045 4.905 1.00 50.24 H new ATOM 740 N ASN A 46 -10.529 -2.841 5.928 1.00 50.24 N ATOM 741 CA ASN A 46 -9.567 -2.337 6.949 1.00 55.31 C ATOM 742 C ASN A 46 -8.225 -3.111 6.985 1.00 11.31 C ATOM 743 O ASN A 46 -7.368 -2.867 7.830 1.00 64.33 O ATOM 744 CB ASN A 46 -10.277 -2.217 8.333 1.00 2.53 C ATOM 745 CG ASN A 46 -9.426 -1.614 9.444 1.00 71.31 C ATOM 746 OD1 ASN A 46 -9.345 -0.391 9.582 1.00 55.33 O ATOM 747 ND2 ASN A 46 -8.851 -2.450 10.271 1.00 2.04 N ATOM 0 H ASN A 46 -10.739 -2.153 5.205 1.00 50.24 H new ATOM 0 HA ASN A 46 -9.258 -1.335 6.652 1.00 55.31 H new ATOM 0 HB2 ASN A 46 -11.174 -1.609 8.213 1.00 2.53 H new ATOM 0 HB3 ASN A 46 -10.604 -3.209 8.644 1.00 2.53 H new ATOM 0 HD21 ASN A 46 -8.313 -2.096 11.062 1.00 2.04 H new ATOM 0 HD22 ASN A 46 -8.940 -3.455 10.124 1.00 2.04 H new ATOM 754 N ARG A 47 -8.018 -4.005 6.040 1.00 32.41 N ATOM 755 CA ARG A 47 -6.792 -4.717 5.970 1.00 42.43 C ATOM 756 C ARG A 47 -5.739 -3.902 5.275 1.00 35.54 C ATOM 757 O ARG A 47 -6.031 -3.165 4.324 1.00 62.10 O ATOM 758 CB ARG A 47 -7.016 -5.996 5.260 1.00 4.54 C ATOM 759 CG ARG A 47 -8.006 -6.855 5.960 1.00 50.23 C ATOM 760 CD ARG A 47 -8.173 -8.121 5.234 1.00 24.34 C ATOM 761 NE ARG A 47 -9.126 -9.013 5.878 1.00 43.11 N ATOM 762 CZ ARG A 47 -9.611 -10.135 5.340 1.00 65.23 C ATOM 763 NH1 ARG A 47 -9.192 -10.546 4.148 1.00 71.53 N ATOM 764 NH2 ARG A 47 -10.511 -10.849 6.002 1.00 1.34 N ATOM 0 H ARG A 47 -8.695 -4.245 5.315 1.00 32.41 H new ATOM 0 HA ARG A 47 -6.437 -4.921 6.980 1.00 42.43 H new ATOM 0 HB2 ARG A 47 -7.364 -5.792 4.247 1.00 4.54 H new ATOM 0 HB3 ARG A 47 -6.071 -6.531 5.170 1.00 4.54 H new ATOM 0 HG2 ARG A 47 -7.673 -7.052 6.979 1.00 50.23 H new ATOM 0 HG3 ARG A 47 -8.963 -6.338 6.031 1.00 50.23 H new ATOM 0 HD2 ARG A 47 -8.506 -7.912 4.218 1.00 24.34 H new ATOM 0 HD3 ARG A 47 -7.208 -8.621 5.156 1.00 24.34 H new ATOM 0 HE ARG A 47 -9.448 -8.762 6.813 1.00 43.11 H new ATOM 0 HH11 ARG A 47 -8.495 -10.004 3.637 1.00 71.53 H new ATOM 0 HH12 ARG A 47 -9.567 -11.404 3.744 1.00 71.53 H new ATOM 0 HH21 ARG A 47 -10.831 -10.541 6.920 1.00 1.34 H new ATOM 0 HH22 ARG A 47 -10.883 -11.706 5.593 1.00 1.34 H new ATOM 778 N GLN A 48 -4.546 -4.007 5.765 1.00 73.30 N ATOM 779 CA GLN A 48 -3.429 -3.327 5.230 1.00 61.24 C ATOM 780 C GLN A 48 -2.792 -4.181 4.144 1.00 1.35 C ATOM 781 O GLN A 48 -2.383 -5.319 4.401 1.00 22.01 O ATOM 782 CB GLN A 48 -2.439 -3.055 6.353 1.00 1.43 C ATOM 783 CG GLN A 48 -1.226 -2.343 5.910 1.00 43.34 C ATOM 784 CD GLN A 48 -0.222 -2.115 7.020 1.00 43.31 C ATOM 785 OE1 GLN A 48 -0.588 -1.945 8.186 1.00 62.04 O ATOM 786 NE2 GLN A 48 1.043 -2.149 6.682 1.00 61.53 N ATOM 0 H GLN A 48 -4.324 -4.588 6.573 1.00 73.30 H new ATOM 0 HA GLN A 48 -3.735 -2.379 4.788 1.00 61.24 H new ATOM 0 HB2 GLN A 48 -2.933 -2.468 7.127 1.00 1.43 H new ATOM 0 HB3 GLN A 48 -2.149 -4.002 6.808 1.00 1.43 H new ATOM 0 HG2 GLN A 48 -0.750 -2.913 5.112 1.00 43.34 H new ATOM 0 HG3 GLN A 48 -1.513 -1.380 5.487 1.00 43.34 H new ATOM 0 HE21 GLN A 48 1.307 -2.292 5.707 1.00 61.53 H new ATOM 0 HE22 GLN A 48 1.764 -2.033 7.394 1.00 61.53 H new ATOM 795 N VAL A 49 -2.738 -3.649 2.952 1.00 54.42 N ATOM 796 CA VAL A 49 -2.172 -4.339 1.815 1.00 71.24 C ATOM 797 C VAL A 49 -1.129 -3.450 1.158 1.00 44.15 C ATOM 798 O VAL A 49 -0.945 -2.293 1.557 1.00 4.41 O ATOM 799 CB VAL A 49 -3.255 -4.731 0.757 1.00 10.31 C ATOM 800 CG1 VAL A 49 -4.304 -5.663 1.353 1.00 41.15 C ATOM 801 CG2 VAL A 49 -3.915 -3.492 0.147 1.00 12.12 C ATOM 0 H VAL A 49 -3.088 -2.715 2.737 1.00 54.42 H new ATOM 0 HA VAL A 49 -1.720 -5.261 2.181 1.00 71.24 H new ATOM 0 HB VAL A 49 -2.745 -5.268 -0.043 1.00 10.31 H new ATOM 0 HG11 VAL A 49 -5.041 -5.916 0.591 1.00 41.15 H new ATOM 0 HG12 VAL A 49 -3.822 -6.574 1.708 1.00 41.15 H new ATOM 0 HG13 VAL A 49 -4.800 -5.167 2.187 1.00 41.15 H new ATOM 0 HG21 VAL A 49 -4.662 -3.801 -0.584 1.00 12.12 H new ATOM 0 HG22 VAL A 49 -4.396 -2.911 0.934 1.00 12.12 H new ATOM 0 HG23 VAL A 49 -3.158 -2.881 -0.344 1.00 12.12 H new ATOM 811 N CYS A 50 -0.464 -3.961 0.173 1.00 71.21 N ATOM 812 CA CYS A 50 0.534 -3.196 -0.510 1.00 14.02 C ATOM 813 C CYS A 50 0.039 -2.879 -1.906 1.00 24.01 C ATOM 814 O CYS A 50 -0.670 -3.674 -2.511 1.00 31.35 O ATOM 815 CB CYS A 50 1.839 -3.976 -0.554 1.00 3.44 C ATOM 816 SG CYS A 50 2.337 -4.618 1.097 1.00 55.33 S ATOM 0 H CYS A 50 -0.593 -4.909 -0.180 1.00 71.21 H new ATOM 0 HA CYS A 50 0.719 -2.261 0.018 1.00 14.02 H new ATOM 0 HB2 CYS A 50 1.736 -4.810 -1.248 1.00 3.44 H new ATOM 0 HB3 CYS A 50 2.629 -3.333 -0.943 1.00 3.44 H new ATOM 821 N ILE A 51 0.390 -1.731 -2.402 1.00 31.01 N ATOM 822 CA ILE A 51 -0.034 -1.294 -3.701 1.00 4.53 C ATOM 823 C ILE A 51 1.146 -1.216 -4.637 1.00 54.20 C ATOM 824 O ILE A 51 2.257 -0.849 -4.231 1.00 11.14 O ATOM 825 CB ILE A 51 -0.743 0.085 -3.655 1.00 75.31 C ATOM 826 CG1 ILE A 51 -1.955 0.030 -2.749 1.00 72.54 C ATOM 827 CG2 ILE A 51 -1.146 0.537 -5.040 1.00 33.41 C ATOM 828 CD1 ILE A 51 -2.827 1.278 -2.821 1.00 53.05 C ATOM 0 H ILE A 51 0.985 -1.063 -1.912 1.00 31.01 H new ATOM 0 HA ILE A 51 -0.752 -2.029 -4.065 1.00 4.53 H new ATOM 0 HB ILE A 51 -0.036 0.811 -3.252 1.00 75.31 H new ATOM 0 HG12 ILE A 51 -2.557 -0.839 -3.013 1.00 72.54 H new ATOM 0 HG13 ILE A 51 -1.623 -0.113 -1.721 1.00 72.54 H new ATOM 0 HG21 ILE A 51 -1.641 1.506 -4.977 1.00 33.41 H new ATOM 0 HG22 ILE A 51 -0.259 0.623 -5.667 1.00 33.41 H new ATOM 0 HG23 ILE A 51 -1.830 -0.191 -5.476 1.00 33.41 H new ATOM 0 HD11 ILE A 51 -3.676 1.168 -2.146 1.00 53.05 H new ATOM 0 HD12 ILE A 51 -2.241 2.149 -2.528 1.00 53.05 H new ATOM 0 HD13 ILE A 51 -3.189 1.411 -3.841 1.00 53.05 H new ATOM 840 N ASP A 52 0.907 -1.579 -5.870 1.00 73.32 N ATOM 841 CA ASP A 52 1.905 -1.530 -6.897 1.00 34.14 C ATOM 842 C ASP A 52 2.010 -0.119 -7.446 1.00 44.31 C ATOM 843 O ASP A 52 1.000 0.485 -7.834 1.00 60.34 O ATOM 844 CB ASP A 52 1.540 -2.492 -7.995 1.00 23.45 C ATOM 845 CG ASP A 52 2.556 -2.530 -9.111 1.00 33.54 C ATOM 846 OD1 ASP A 52 2.432 -1.741 -10.044 1.00 2.21 O ATOM 847 OD2 ASP A 52 3.485 -3.362 -9.060 1.00 71.34 O ATOM 0 H ASP A 52 0.001 -1.921 -6.190 1.00 73.32 H new ATOM 0 HA ASP A 52 2.871 -1.815 -6.481 1.00 34.14 H new ATOM 0 HB2 ASP A 52 1.434 -3.492 -7.574 1.00 23.45 H new ATOM 0 HB3 ASP A 52 0.569 -2.215 -8.405 1.00 23.45 H new ATOM 852 N PRO A 53 3.224 0.426 -7.496 1.00 45.54 N ATOM 853 CA PRO A 53 3.460 1.795 -7.938 1.00 25.41 C ATOM 854 C PRO A 53 3.200 2.042 -9.427 1.00 74.21 C ATOM 855 O PRO A 53 3.324 3.168 -9.890 1.00 11.32 O ATOM 856 CB PRO A 53 4.936 2.031 -7.611 1.00 4.41 C ATOM 857 CG PRO A 53 5.539 0.676 -7.595 1.00 62.12 C ATOM 858 CD PRO A 53 4.474 -0.249 -7.103 1.00 20.21 C ATOM 0 HA PRO A 53 2.769 2.476 -7.441 1.00 25.41 H new ATOM 0 HB2 PRO A 53 5.410 2.667 -8.358 1.00 4.41 H new ATOM 0 HB3 PRO A 53 5.054 2.528 -6.648 1.00 4.41 H new ATOM 0 HG2 PRO A 53 5.875 0.388 -8.591 1.00 62.12 H new ATOM 0 HG3 PRO A 53 6.412 0.646 -6.943 1.00 62.12 H new ATOM 0 HD2 PRO A 53 4.558 -1.236 -7.558 1.00 20.21 H new ATOM 0 HD3 PRO A 53 4.532 -0.390 -6.024 1.00 20.21 H new ATOM 866 N LYS A 54 2.844 1.012 -10.176 1.00 73.50 N ATOM 867 CA LYS A 54 2.620 1.178 -11.603 1.00 34.11 C ATOM 868 C LYS A 54 1.144 1.283 -11.913 1.00 63.02 C ATOM 869 O LYS A 54 0.743 1.288 -13.073 1.00 51.43 O ATOM 870 CB LYS A 54 3.282 0.047 -12.402 1.00 53.53 C ATOM 871 CG LYS A 54 4.731 -0.138 -12.057 1.00 2.22 C ATOM 872 CD LYS A 54 5.497 1.146 -12.243 1.00 71.42 C ATOM 873 CE LYS A 54 6.869 1.015 -11.681 1.00 23.55 C ATOM 874 NZ LYS A 54 7.690 0.010 -12.399 1.00 23.51 N ATOM 0 H LYS A 54 2.705 0.064 -9.826 1.00 73.50 H new ATOM 0 HA LYS A 54 3.088 2.114 -11.909 1.00 34.11 H new ATOM 0 HB2 LYS A 54 2.747 -0.884 -12.216 1.00 53.53 H new ATOM 0 HB3 LYS A 54 3.191 0.259 -13.467 1.00 53.53 H new ATOM 0 HG2 LYS A 54 4.823 -0.474 -11.024 1.00 2.22 H new ATOM 0 HG3 LYS A 54 5.162 -0.917 -12.686 1.00 2.22 H new ATOM 0 HD2 LYS A 54 5.553 1.394 -13.303 1.00 71.42 H new ATOM 0 HD3 LYS A 54 4.972 1.965 -11.752 1.00 71.42 H new ATOM 0 HE2 LYS A 54 7.368 1.983 -11.724 1.00 23.55 H new ATOM 0 HE3 LYS A 54 6.801 0.738 -10.629 1.00 23.55 H new ATOM 0 HZ1 LYS A 54 8.663 0.032 -12.034 1.00 23.51 H new ATOM 0 HZ2 LYS A 54 7.286 -0.937 -12.252 1.00 23.51 H new ATOM 0 HZ3 LYS A 54 7.697 0.229 -13.416 1.00 23.51 H new ATOM 888 N LEU A 55 0.331 1.374 -10.873 1.00 41.40 N ATOM 889 CA LEU A 55 -1.087 1.595 -11.052 1.00 72.15 C ATOM 890 C LEU A 55 -1.335 2.984 -11.606 1.00 40.12 C ATOM 891 O LEU A 55 -0.643 3.939 -11.247 1.00 22.25 O ATOM 892 CB LEU A 55 -1.844 1.413 -9.751 1.00 23.53 C ATOM 893 CG LEU A 55 -2.133 -0.012 -9.283 1.00 44.31 C ATOM 894 CD1 LEU A 55 -2.828 0.028 -7.944 1.00 10.04 C ATOM 895 CD2 LEU A 55 -3.040 -0.706 -10.267 1.00 5.11 C ATOM 0 H LEU A 55 0.631 1.298 -9.901 1.00 41.40 H new ATOM 0 HA LEU A 55 -1.453 0.854 -11.762 1.00 72.15 H new ATOM 0 HB2 LEU A 55 -1.281 1.915 -8.964 1.00 23.53 H new ATOM 0 HB3 LEU A 55 -2.797 1.934 -9.843 1.00 23.53 H new ATOM 0 HG LEU A 55 -1.189 -0.552 -9.205 1.00 44.31 H new ATOM 0 HD11 LEU A 55 -3.034 -0.989 -7.610 1.00 10.04 H new ATOM 0 HD12 LEU A 55 -2.187 0.526 -7.216 1.00 10.04 H new ATOM 0 HD13 LEU A 55 -3.765 0.576 -8.037 1.00 10.04 H new ATOM 0 HD21 LEU A 55 -3.240 -1.721 -9.924 1.00 5.11 H new ATOM 0 HD22 LEU A 55 -3.979 -0.158 -10.345 1.00 5.11 H new ATOM 0 HD23 LEU A 55 -2.558 -0.741 -11.244 1.00 5.11 H new ATOM 907 N LYS A 56 -2.329 3.103 -12.448 1.00 52.11 N ATOM 908 CA LYS A 56 -2.613 4.358 -13.117 1.00 75.50 C ATOM 909 C LYS A 56 -3.151 5.397 -12.168 1.00 52.24 C ATOM 910 O LYS A 56 -2.769 6.554 -12.253 1.00 13.15 O ATOM 911 CB LYS A 56 -3.536 4.189 -14.319 1.00 44.24 C ATOM 912 CG LYS A 56 -2.976 3.287 -15.401 1.00 71.10 C ATOM 913 CD LYS A 56 -3.870 3.198 -16.647 1.00 52.21 C ATOM 914 CE LYS A 56 -3.905 4.490 -17.502 1.00 2.35 C ATOM 915 NZ LYS A 56 -4.556 5.655 -16.846 1.00 1.21 N ATOM 0 H LYS A 56 -2.963 2.342 -12.692 1.00 52.11 H new ATOM 0 HA LYS A 56 -1.655 4.716 -13.495 1.00 75.50 H new ATOM 0 HB2 LYS A 56 -4.489 3.784 -13.979 1.00 44.24 H new ATOM 0 HB3 LYS A 56 -3.742 5.170 -14.748 1.00 44.24 H new ATOM 0 HG2 LYS A 56 -1.992 3.653 -15.695 1.00 71.10 H new ATOM 0 HG3 LYS A 56 -2.835 2.286 -14.992 1.00 71.10 H new ATOM 0 HD2 LYS A 56 -3.523 2.374 -17.270 1.00 52.21 H new ATOM 0 HD3 LYS A 56 -4.886 2.956 -16.334 1.00 52.21 H new ATOM 0 HE2 LYS A 56 -2.883 4.763 -17.764 1.00 2.35 H new ATOM 0 HE3 LYS A 56 -4.427 4.277 -18.435 1.00 2.35 H new ATOM 0 HZ1 LYS A 56 -5.061 6.218 -17.560 1.00 1.21 H new ATOM 0 HZ2 LYS A 56 -5.231 5.318 -16.130 1.00 1.21 H new ATOM 0 HZ3 LYS A 56 -3.832 6.245 -16.389 1.00 1.21 H new ATOM 929 N TRP A 57 -4.020 5.001 -11.237 1.00 5.01 N ATOM 930 CA TRP A 57 -4.531 5.987 -10.297 1.00 52.33 C ATOM 931 C TRP A 57 -3.429 6.366 -9.317 1.00 73.42 C ATOM 932 O TRP A 57 -3.441 7.444 -8.727 1.00 10.31 O ATOM 933 CB TRP A 57 -5.822 5.544 -9.573 1.00 42.34 C ATOM 934 CG TRP A 57 -5.686 4.447 -8.553 1.00 21.22 C ATOM 935 CD1 TRP A 57 -5.843 3.113 -8.743 1.00 13.10 C ATOM 936 CD2 TRP A 57 -5.398 4.620 -7.159 1.00 14.01 C ATOM 937 NE1 TRP A 57 -5.676 2.448 -7.560 1.00 4.23 N ATOM 938 CE2 TRP A 57 -5.397 3.350 -6.574 1.00 51.42 C ATOM 939 CE3 TRP A 57 -5.137 5.733 -6.359 1.00 51.22 C ATOM 940 CZ2 TRP A 57 -5.154 3.157 -5.219 1.00 2.45 C ATOM 941 CZ3 TRP A 57 -4.896 5.545 -5.019 1.00 63.52 C ATOM 942 CH2 TRP A 57 -4.904 4.271 -4.460 1.00 14.32 C ATOM 0 H TRP A 57 -4.369 4.050 -11.118 1.00 5.01 H new ATOM 0 HA TRP A 57 -4.825 6.866 -10.870 1.00 52.33 H new ATOM 0 HB2 TRP A 57 -6.250 6.416 -9.079 1.00 42.34 H new ATOM 0 HB3 TRP A 57 -6.540 5.220 -10.327 1.00 42.34 H new ATOM 0 HD1 TRP A 57 -6.067 2.645 -9.690 1.00 13.10 H new ATOM 0 HE1 TRP A 57 -5.748 1.438 -7.434 1.00 4.23 H new ATOM 0 HE3 TRP A 57 -5.125 6.725 -6.785 1.00 51.22 H new ATOM 0 HZ2 TRP A 57 -5.162 2.169 -4.782 1.00 2.45 H new ATOM 0 HZ3 TRP A 57 -4.697 6.400 -4.390 1.00 63.52 H new ATOM 0 HH2 TRP A 57 -4.709 4.157 -3.404 1.00 14.32 H new ATOM 953 N ILE A 58 -2.468 5.465 -9.172 1.00 62.12 N ATOM 954 CA ILE A 58 -1.296 5.705 -8.377 1.00 31.14 C ATOM 955 C ILE A 58 -0.414 6.728 -9.065 1.00 10.52 C ATOM 956 O ILE A 58 0.098 7.629 -8.426 1.00 32.42 O ATOM 957 CB ILE A 58 -0.527 4.388 -8.086 1.00 55.13 C ATOM 958 CG1 ILE A 58 -1.301 3.513 -7.092 1.00 21.41 C ATOM 959 CG2 ILE A 58 0.890 4.630 -7.618 1.00 45.13 C ATOM 960 CD1 ILE A 58 -1.510 4.160 -5.733 1.00 31.11 C ATOM 0 H ILE A 58 -2.490 4.544 -9.610 1.00 62.12 H new ATOM 0 HA ILE A 58 -1.604 6.106 -7.411 1.00 31.14 H new ATOM 0 HB ILE A 58 -0.450 3.851 -9.031 1.00 55.13 H new ATOM 0 HG12 ILE A 58 -2.273 3.268 -7.520 1.00 21.41 H new ATOM 0 HG13 ILE A 58 -0.766 2.573 -6.957 1.00 21.41 H new ATOM 0 HG21 ILE A 58 1.379 3.674 -7.430 1.00 45.13 H new ATOM 0 HG22 ILE A 58 1.439 5.174 -8.387 1.00 45.13 H new ATOM 0 HG23 ILE A 58 0.875 5.217 -6.700 1.00 45.13 H new ATOM 0 HD11 ILE A 58 -2.065 3.479 -5.087 1.00 31.11 H new ATOM 0 HD12 ILE A 58 -0.542 4.380 -5.282 1.00 31.11 H new ATOM 0 HD13 ILE A 58 -2.073 5.085 -5.853 1.00 31.11 H new ATOM 972 N GLN A 59 -0.262 6.598 -10.377 1.00 31.35 N ATOM 973 CA GLN A 59 0.481 7.585 -11.155 1.00 31.53 C ATOM 974 C GLN A 59 -0.141 8.949 -10.953 1.00 3.31 C ATOM 975 O GLN A 59 0.551 9.918 -10.689 1.00 21.24 O ATOM 976 CB GLN A 59 0.476 7.238 -12.634 1.00 62.31 C ATOM 977 CG GLN A 59 1.166 5.929 -12.985 1.00 21.34 C ATOM 978 CD GLN A 59 2.630 5.923 -12.604 1.00 20.13 C ATOM 979 OE1 GLN A 59 3.487 6.313 -13.388 1.00 32.41 O ATOM 980 NE2 GLN A 59 2.930 5.480 -11.422 1.00 24.51 N ATOM 0 H GLN A 59 -0.640 5.824 -10.923 1.00 31.35 H new ATOM 0 HA GLN A 59 1.515 7.588 -10.811 1.00 31.53 H new ATOM 0 HB2 GLN A 59 -0.557 7.191 -12.978 1.00 62.31 H new ATOM 0 HB3 GLN A 59 0.959 8.046 -13.184 1.00 62.31 H new ATOM 0 HG2 GLN A 59 0.659 5.108 -12.478 1.00 21.34 H new ATOM 0 HG3 GLN A 59 1.072 5.749 -14.056 1.00 21.34 H new ATOM 0 HE21 GLN A 59 2.192 5.163 -10.794 1.00 24.51 H new ATOM 0 HE22 GLN A 59 3.904 5.449 -11.121 1.00 24.51 H new ATOM 989 N GLU A 60 -1.468 8.991 -11.034 1.00 11.42 N ATOM 990 CA GLU A 60 -2.233 10.205 -10.798 1.00 31.35 C ATOM 991 C GLU A 60 -1.915 10.762 -9.414 1.00 10.05 C ATOM 992 O GLU A 60 -1.634 11.938 -9.264 1.00 22.33 O ATOM 993 CB GLU A 60 -3.728 9.902 -10.869 1.00 22.11 C ATOM 994 CG GLU A 60 -4.207 9.339 -12.191 1.00 52.31 C ATOM 995 CD GLU A 60 -3.987 10.280 -13.331 1.00 64.14 C ATOM 996 OE1 GLU A 60 -4.755 11.269 -13.451 1.00 24.13 O ATOM 997 OE2 GLU A 60 -3.057 10.060 -14.126 1.00 72.31 O ATOM 0 H GLU A 60 -2.042 8.180 -11.266 1.00 11.42 H new ATOM 0 HA GLU A 60 -1.966 10.935 -11.562 1.00 31.35 H new ATOM 0 HB2 GLU A 60 -3.977 9.194 -10.079 1.00 22.11 H new ATOM 0 HB3 GLU A 60 -4.279 10.819 -10.661 1.00 22.11 H new ATOM 0 HG2 GLU A 60 -3.687 8.403 -12.392 1.00 52.31 H new ATOM 0 HG3 GLU A 60 -5.269 9.105 -12.118 1.00 52.31 H new ATOM 1004 N TYR A 61 -1.939 9.880 -8.422 1.00 12.12 N ATOM 1005 CA TYR A 61 -1.690 10.234 -7.028 1.00 11.30 C ATOM 1006 C TYR A 61 -0.280 10.827 -6.859 1.00 52.11 C ATOM 1007 O TYR A 61 -0.111 11.919 -6.283 1.00 71.13 O ATOM 1008 CB TYR A 61 -1.869 8.976 -6.144 1.00 55.44 C ATOM 1009 CG TYR A 61 -1.806 9.227 -4.652 1.00 63.44 C ATOM 1010 CD1 TYR A 61 -2.857 9.866 -4.013 1.00 13.21 C ATOM 1011 CD2 TYR A 61 -0.705 8.829 -3.877 1.00 64.15 C ATOM 1012 CE1 TYR A 61 -2.835 10.106 -2.661 1.00 22.43 C ATOM 1013 CE2 TYR A 61 -0.681 9.070 -2.516 1.00 51.54 C ATOM 1014 CZ TYR A 61 -1.751 9.711 -1.915 1.00 2.43 C ATOM 1015 OH TYR A 61 -1.741 9.950 -0.557 1.00 3.33 O ATOM 0 H TYR A 61 -2.134 8.889 -8.563 1.00 12.12 H new ATOM 0 HA TYR A 61 -2.406 10.995 -6.717 1.00 11.30 H new ATOM 0 HB2 TYR A 61 -2.830 8.519 -6.380 1.00 55.44 H new ATOM 0 HB3 TYR A 61 -1.098 8.252 -6.408 1.00 55.44 H new ATOM 0 HD1 TYR A 61 -3.712 10.182 -4.591 1.00 13.21 H new ATOM 0 HD2 TYR A 61 0.130 8.331 -4.348 1.00 64.15 H new ATOM 0 HE1 TYR A 61 -3.667 10.604 -2.186 1.00 22.43 H new ATOM 0 HE2 TYR A 61 0.168 8.760 -1.925 1.00 51.54 H new ATOM 0 HH TYR A 61 -0.906 9.611 -0.171 1.00 3.33 H new ATOM 1025 N LEU A 62 0.712 10.128 -7.391 1.00 73.31 N ATOM 1026 CA LEU A 62 2.099 10.556 -7.300 1.00 64.31 C ATOM 1027 C LEU A 62 2.367 11.837 -8.059 1.00 11.23 C ATOM 1028 O LEU A 62 3.098 12.691 -7.578 1.00 21.34 O ATOM 1029 CB LEU A 62 3.090 9.456 -7.719 1.00 41.12 C ATOM 1030 CG LEU A 62 3.409 8.357 -6.676 1.00 24.12 C ATOM 1031 CD1 LEU A 62 2.185 7.596 -6.238 1.00 71.14 C ATOM 1032 CD2 LEU A 62 4.456 7.416 -7.216 1.00 51.32 C ATOM 0 H LEU A 62 0.578 9.252 -7.896 1.00 73.31 H new ATOM 0 HA LEU A 62 2.266 10.761 -6.243 1.00 64.31 H new ATOM 0 HB2 LEU A 62 2.698 8.970 -8.612 1.00 41.12 H new ATOM 0 HB3 LEU A 62 4.027 9.935 -8.002 1.00 41.12 H new ATOM 0 HG LEU A 62 3.797 8.859 -5.790 1.00 24.12 H new ATOM 0 HD11 LEU A 62 2.469 6.839 -5.507 1.00 71.14 H new ATOM 0 HD12 LEU A 62 1.470 8.285 -5.788 1.00 71.14 H new ATOM 0 HD13 LEU A 62 1.729 7.113 -7.102 1.00 71.14 H new ATOM 0 HD21 LEU A 62 4.672 6.648 -6.474 1.00 51.32 H new ATOM 0 HD22 LEU A 62 4.087 6.946 -8.128 1.00 51.32 H new ATOM 0 HD23 LEU A 62 5.366 7.973 -7.437 1.00 51.32 H new ATOM 1044 N GLU A 63 1.750 11.986 -9.213 1.00 13.11 N ATOM 1045 CA GLU A 63 1.938 13.168 -10.044 1.00 44.32 C ATOM 1046 C GLU A 63 1.192 14.339 -9.475 1.00 70.52 C ATOM 1047 O GLU A 63 1.624 15.502 -9.616 1.00 70.33 O ATOM 1048 CB GLU A 63 1.552 12.913 -11.489 1.00 22.31 C ATOM 1049 CG GLU A 63 2.465 11.930 -12.179 1.00 32.41 C ATOM 1050 CD GLU A 63 2.039 11.641 -13.584 1.00 14.33 C ATOM 1051 OE1 GLU A 63 2.349 12.444 -14.493 1.00 65.33 O ATOM 1052 OE2 GLU A 63 1.402 10.599 -13.811 1.00 60.41 O ATOM 0 H GLU A 63 1.106 11.298 -9.604 1.00 13.11 H new ATOM 0 HA GLU A 63 3.001 13.408 -10.041 1.00 44.32 H new ATOM 0 HB2 GLU A 63 0.529 12.538 -11.525 1.00 22.31 H new ATOM 0 HB3 GLU A 63 1.565 13.857 -12.034 1.00 22.31 H new ATOM 0 HG2 GLU A 63 3.481 12.325 -12.185 1.00 32.41 H new ATOM 0 HG3 GLU A 63 2.488 11.000 -11.611 1.00 32.41 H new ATOM 1059 N LYS A 64 0.071 14.045 -8.838 1.00 22.33 N ATOM 1060 CA LYS A 64 -0.653 15.032 -8.101 1.00 72.32 C ATOM 1061 C LYS A 64 0.258 15.642 -7.083 1.00 1.53 C ATOM 1062 O LYS A 64 0.578 16.793 -7.144 1.00 73.14 O ATOM 1063 CB LYS A 64 -1.842 14.418 -7.362 1.00 3.31 C ATOM 1064 CG LYS A 64 -2.385 15.389 -6.364 1.00 5.20 C ATOM 1065 CD LYS A 64 -3.592 14.933 -5.622 1.00 30.32 C ATOM 1066 CE LYS A 64 -4.139 16.072 -4.772 1.00 32.30 C ATOM 1067 NZ LYS A 64 -3.085 16.711 -3.936 1.00 24.25 N ATOM 0 H LYS A 64 -0.350 13.116 -8.825 1.00 22.33 H new ATOM 0 HA LYS A 64 -1.021 15.777 -8.806 1.00 72.32 H new ATOM 0 HB2 LYS A 64 -2.620 14.144 -8.074 1.00 3.31 H new ATOM 0 HB3 LYS A 64 -1.533 13.502 -6.859 1.00 3.31 H new ATOM 0 HG2 LYS A 64 -1.601 15.619 -5.642 1.00 5.20 H new ATOM 0 HG3 LYS A 64 -2.626 16.318 -6.880 1.00 5.20 H new ATOM 0 HD2 LYS A 64 -4.354 14.593 -6.323 1.00 30.32 H new ATOM 0 HD3 LYS A 64 -3.340 14.083 -4.988 1.00 30.32 H new ATOM 0 HE2 LYS A 64 -4.589 16.823 -5.421 1.00 32.30 H new ATOM 0 HE3 LYS A 64 -4.931 15.692 -4.126 1.00 32.30 H new ATOM 0 HZ1 LYS A 64 -3.530 17.226 -3.150 1.00 24.25 H new ATOM 0 HZ2 LYS A 64 -2.452 15.979 -3.556 1.00 24.25 H new ATOM 0 HZ3 LYS A 64 -2.536 17.375 -4.518 1.00 24.25 H new ATOM 1081 N ALA A 65 0.655 14.816 -6.170 1.00 0.14 N ATOM 1082 CA ALA A 65 1.565 15.176 -5.073 1.00 55.24 C ATOM 1083 C ALA A 65 2.898 15.765 -5.581 1.00 1.33 C ATOM 1084 O ALA A 65 3.539 16.560 -4.884 1.00 0.51 O ATOM 1085 CB ALA A 65 1.818 13.966 -4.184 1.00 23.34 C ATOM 0 H ALA A 65 0.361 13.840 -6.145 1.00 0.14 H new ATOM 0 HA ALA A 65 1.077 15.957 -4.490 1.00 55.24 H new ATOM 0 HB1 ALA A 65 2.493 14.244 -3.375 1.00 23.34 H new ATOM 0 HB2 ALA A 65 0.874 13.618 -3.765 1.00 23.34 H new ATOM 0 HB3 ALA A 65 2.268 13.168 -4.775 1.00 23.34 H new ATOM 1091 N LEU A 66 3.309 15.355 -6.776 1.00 52.10 N ATOM 1092 CA LEU A 66 4.499 15.862 -7.430 1.00 63.22 C ATOM 1093 C LEU A 66 4.288 17.342 -7.747 1.00 42.44 C ATOM 1094 O LEU A 66 5.190 18.174 -7.557 1.00 5.32 O ATOM 1095 CB LEU A 66 4.690 15.028 -8.726 1.00 32.04 C ATOM 1096 CG LEU A 66 5.957 15.191 -9.570 1.00 61.52 C ATOM 1097 CD1 LEU A 66 5.986 14.091 -10.619 1.00 50.42 C ATOM 1098 CD2 LEU A 66 6.022 16.541 -10.275 1.00 15.21 C ATOM 0 H LEU A 66 2.814 14.650 -7.322 1.00 52.10 H new ATOM 0 HA LEU A 66 5.386 15.775 -6.803 1.00 63.22 H new ATOM 0 HB2 LEU A 66 4.622 13.977 -8.446 1.00 32.04 H new ATOM 0 HB3 LEU A 66 3.840 15.241 -9.375 1.00 32.04 H new ATOM 0 HG LEU A 66 6.813 15.129 -8.898 1.00 61.52 H new ATOM 0 HD11 LEU A 66 6.884 14.194 -11.229 1.00 50.42 H new ATOM 0 HD12 LEU A 66 5.991 13.119 -10.127 1.00 50.42 H new ATOM 0 HD13 LEU A 66 5.104 14.171 -11.255 1.00 50.42 H new ATOM 0 HD21 LEU A 66 6.940 16.603 -10.859 1.00 15.21 H new ATOM 0 HD22 LEU A 66 5.163 16.647 -10.937 1.00 15.21 H new ATOM 0 HD23 LEU A 66 6.009 17.340 -9.533 1.00 15.21 H new ATOM 1110 N ASN A 67 3.098 17.657 -8.201 1.00 71.15 N ATOM 1111 CA ASN A 67 2.745 19.021 -8.548 1.00 40.52 C ATOM 1112 C ASN A 67 2.196 19.795 -7.343 1.00 14.24 C ATOM 1113 O ASN A 67 2.803 20.776 -6.894 1.00 22.33 O ATOM 1114 CB ASN A 67 1.707 19.028 -9.681 1.00 41.24 C ATOM 1115 CG ASN A 67 1.258 20.431 -10.076 1.00 44.42 C ATOM 1116 OD1 ASN A 67 2.018 21.400 -9.992 1.00 41.14 O ATOM 1117 ND2 ASN A 67 0.028 20.555 -10.497 1.00 12.13 N ATOM 0 H ASN A 67 2.347 16.981 -8.341 1.00 71.15 H new ATOM 0 HA ASN A 67 3.657 19.518 -8.880 1.00 40.52 H new ATOM 0 HB2 ASN A 67 2.128 18.529 -10.554 1.00 41.24 H new ATOM 0 HB3 ASN A 67 0.837 18.449 -9.372 1.00 41.24 H new ATOM 0 HD21 ASN A 67 -0.329 21.472 -10.767 1.00 12.13 H new ATOM 0 HD22 ASN A 67 -0.576 19.735 -10.555 1.00 12.13 H new ATOM 1124 N LYS A 68 1.081 19.335 -6.811 1.00 14.12 N ATOM 1125 CA LYS A 68 0.359 20.047 -5.804 1.00 53.31 C ATOM 1126 C LYS A 68 -0.386 19.063 -4.888 1.00 22.20 C ATOM 1127 O LYS A 68 -1.485 18.581 -5.260 1.00 38.52 O ATOM 1128 CB LYS A 68 -0.612 20.985 -6.498 1.00 73.41 C ATOM 1129 CG LYS A 68 -1.281 22.003 -5.608 1.00 44.24 C ATOM 1130 CD LYS A 68 -2.181 22.896 -6.433 1.00 42.23 C ATOM 1131 CE LYS A 68 -1.401 23.680 -7.500 1.00 63.11 C ATOM 1132 NZ LYS A 68 -2.286 24.511 -8.340 1.00 33.01 N ATOM 1133 OXT LYS A 68 0.107 18.791 -3.776 1.00 38.52 O ATOM 0 H LYS A 68 0.656 18.447 -7.076 1.00 14.12 H new ATOM 0 HA LYS A 68 1.043 20.622 -5.179 1.00 53.31 H new ATOM 0 HB2 LYS A 68 -0.078 21.514 -7.287 1.00 73.41 H new ATOM 0 HB3 LYS A 68 -1.385 20.387 -6.981 1.00 73.41 H new ATOM 0 HG2 LYS A 68 -1.863 21.498 -4.837 1.00 44.24 H new ATOM 0 HG3 LYS A 68 -0.528 22.603 -5.097 1.00 44.24 H new ATOM 0 HD2 LYS A 68 -2.946 22.290 -6.917 1.00 42.23 H new ATOM 0 HD3 LYS A 68 -2.697 23.596 -5.776 1.00 42.23 H new ATOM 0 HE2 LYS A 68 -0.662 24.317 -7.013 1.00 63.11 H new ATOM 0 HE3 LYS A 68 -0.853 22.982 -8.133 1.00 63.11 H new ATOM 0 HZ1 LYS A 68 -1.717 25.021 -9.045 1.00 33.01 H new ATOM 0 HZ2 LYS A 68 -2.975 23.902 -8.826 1.00 33.01 H new ATOM 0 HZ3 LYS A 68 -2.791 25.196 -7.741 1.00 33.01 H new TER 1147 LYS A 68